accession stringlengths 9 9 | name stringlengths 3 356 | smiles stringlengths 1 1.33k ⌀ | inchi stringlengths 10 1.92k ⌀ | inchikey stringlengths 27 27 ⌀ | chemical_formula stringlengths 1 19 ⌀ | creation_date stringlengths 23 23 | update_date stringlengths 23 23 | source_archive stringclasses 7
values | source_record_json stringlengths 666 32k |
|---|---|---|---|---|---|---|---|---|---|
NP0000001 | Strychnine | [H]C1=C([H])C([H])=C2C(=C1[H])N1C(=O)C([H])([H])[C@]3([H])OC([H])([H])C([H])=C4C([H])([H])N5C([H])([H])C([H])([H])[C@]22[C@]5([H])C([H])([H])[C@]4([H])[C@]3([H])[C@]12[H] | InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2/t13-,16-,17-,19-,20-,21+/m0/s1 | QMGVPVSNSZLJIA-FVWCLLPLSA-N | C21H22N2O2 | 2019-05-20 17:30:31 UTC | 2024-09-03 04:21:43 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2019-05-20 17:30:31 UTC", "update_date": "2024-09-03 04:21:43 UTC", "accession": "NP0000001", "secondary_accessions": null, "name": "Strychnine", "description": "Strychnine, also known as strychnin, is an extremely poisonous and bitter indoline alkaloid. It belongs to the class of o... |
NP0000003 | Psoralen | O=C1OC2=CC3=C(C=CO3)C=C2C=C1 | InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H | ZCCUUQDIBDJBTK-UHFFFAOYSA-N | C11H6O3 | 2012-09-11 19:04:36 UTC | 2024-09-03 04:16:58 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2012-09-11 19:04:36 UTC", "update_date": "2024-09-03 04:16:58 UTC", "accession": "NP0000003", "secondary_accessions": null, "name": "Psoralen", "description": "Psoralen, also known as psoralene, ficusin or manaderm, belongs to the class of organic compounds known as psoralens. These... |
NP0000004 | Cotinine | CN1C(CCC1=O)C1=CN=CC=C1 | InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3 | UIKROCXWUNQSPJ-UHFFFAOYSA-N | C10H12N2O | 2005-11-16 15:48:42 UTC | 2024-09-03 04:17:59 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2024-09-03 04:17:59 UTC", "accession": "NP0000004", "secondary_accessions": null, "name": "Cotinine", "description": "Cotinine is an alkaloid found in tobacco (Nicotiana tabacum). Cotinine belongs to the class of organic compounds known as p... |
NP0000005 | Coumarin | O=C1OC2=CC=CC=C2C=C1 | InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H | ZYGHJZDHTFUPRJ-UHFFFAOYSA-N | C9H6O2 | 2005-11-16 15:48:42 UTC | 2024-09-03 04:16:50 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2024-09-03 04:16:50 UTC", "accession": "NP0000005", "secondary_accessions": null, "name": "Coumarin", "description": "Coumarin belongs to the class of chemicals known as chromenones. Specifically it is a chromenone having the keto group loca... |
NP0000006 | Anabasine | C1CCC(NC1)C1=CN=CC=C1 | InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2 | MTXSIJUGVMTTMU-UHFFFAOYSA-N | C10H14N2 | 2006-08-13 17:16:37 UTC | 2021-10-07 20:41:06 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-08-13 17:16:37 UTC", "update_date": "2021-10-07 20:41:06 UTC", "accession": "NP0000006", "secondary_accessions": null, "name": "Anabasine", "description": "Anabasine is a pyridine and piperidine alkaloid found in the Tree Tobacco (Nicotiana glauca) plant, a close relative of th... |
NP0000007 | Canthaxanthin | [H]/C(=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])\C(\[H])=C(\C(\[H])=C(/[H])C1=C(C(=O)C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])/C([H])([H])[H])/C([H])([H])[H])/C(/[H])=C(/C(/[H])=C(\[H])/C(/[H])=C(/C(/[H])=C(\[H])C1=C(C(=O)C([H])([H])C([H])([H])C1(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])\C([H]... | InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+ | FDSDTBUPSURDBL-DKLMTRRASA-N | C40H52O2 | 2006-05-22 15:12:37 UTC | 2021-08-19 20:22:27 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 15:12:37 UTC", "update_date": "2021-08-19 20:22:27 UTC", "accession": "NP0000007", "secondary_accessions": null, "name": "Canthaxanthin", "description": "Canthaxanthin, also known as Cantaxanthin, Cantaxanthine, or Canthaxanthine is a keto-carotenoid, a pigment widely dis... |
NP0000008 | Berberine | COC1=CC=C2C=C3C4=CC5=C(OCO5)C=C4CC[N+]3=CC2=C1OC | InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1 | YBHILYKTIRIUTE-UHFFFAOYSA-N | C20H18NO4 | 2006-08-12 20:17:34 UTC | 2021-08-19 20:22:28 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-08-12 20:17:34 UTC", "update_date": "2021-08-19 20:22:28 UTC", "accession": "NP0000008", "secondary_accessions": null, "name": "Berberine", "description": "Berberine is a quaternary ammonium salt that belongs to the protoberberine group of benzylisoquinoline alkaloids. Chemical... |
NP0000009 | Caffeine | CN1C=NC2=C1C(=O)N(C)C(=O)N2C | InChI=1S/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3 | RYYVLZVUVIJVGH-UHFFFAOYSA-N | C8H10N4O2 | 2006-02-16 08:53:46 UTC | 2024-09-03 04:16:08 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-02-16 08:53:46 UTC", "update_date": "2024-09-03 04:16:08 UTC", "accession": "NP0000009", "secondary_accessions": null, "name": "Caffeine", "description": "Caffeine is a methyl xanthine alkaloid that is also classified as a purine. Formally, caffeine belongs to the class of org... |
NP0000010 | Petroselinic acid | CCCCCCCCCCCC=CCCCCC(O)=O | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20) | CNVZJPUDSLNTQU-UHFFFAOYSA-N | C18H34O2 | 2006-05-22 14:17:35 UTC | 2024-09-03 04:18:16 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 14:17:35 UTC", "update_date": "2024-09-03 04:18:16 UTC", "accession": "NP0000010", "secondary_accessions": null, "name": "Petroselinic acid", "description": "Petroselinic acid, also known as (6Z)-Octadecenoic acid, is an 18-carbon unsaturated fatty acid that occurs natura... |
NP0000011 | Eugenol | COC1=CC(CC=C)=CC=C1O | InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3 | RRAFCDWBNXTKKO-UHFFFAOYSA-N | C10H12O2 | 2007-01-23 13:27:56 UTC | 2024-09-03 04:15:58 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2007-01-23 13:27:56 UTC", "update_date": "2024-09-03 04:15:58 UTC", "accession": "NP0000011", "secondary_accessions": null, "name": "Eugenol", "description": "Eugenol or 4-allyl-2-methoxyphenol is classified as a phenylpropanoid, formally derived from guaiacol, with an allyl chain p... |
NP0000012 | Allantoin | NC(=O)NC1NC(=O)NC1=O | InChI=1S/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11) | POJWUDADGALRAB-UHFFFAOYSA-N | C4H6N4O3 | 2005-11-16 15:48:42 UTC | 2024-09-03 04:16:53 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2024-09-03 04:16:53 UTC", "accession": "NP0000012", "secondary_accessions": null, "name": "Allantoin", "description": "Allantoin is a diureide of glyoxylic acid with the chemical formula C4H6N4O3. It is also called 5-ureidohydantoin or glyox... |
NP0000013 | Vanillic acid | COC1=C(O)C=CC(=C1)C(O)=O | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) | WKOLLVMJNQIZCI-UHFFFAOYSA-N | C8H8O4 | 2005-11-16 15:48:42 UTC | 2024-09-03 04:19:21 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2024-09-03 04:19:21 UTC", "accession": "NP0000013", "secondary_accessions": null, "name": "Vanillic acid", "description": "Vanillic acid is a phenolic acid found in some forms of vanilla and many other plant extracts. It is a flavoring and s... |
NP0000014 | Trehalose | OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1 | HDTRYLNUVZCQOY-LIZSDCNHSA-N | C12H22O11 | 2005-11-16 15:48:42 UTC | 2021-08-19 20:22:28 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-19 20:22:28 UTC", "accession": "NP0000014", "secondary_accessions": null, "name": "Trehalose", "description": "Trehalose, also known as mycose, is a 1-alpha (disaccharide) sugar found extensively but not abundantly in nature. It is t... |
NP0000015 | Itaconic acid | OC(=O)CC(=C)C(O)=O | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9) | LVHBHZANLOWSRM-UHFFFAOYSA-N | C5H6O4 | 2006-05-22 14:17:36 UTC | 2024-09-03 04:18:32 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 14:17:36 UTC", "update_date": "2024-09-03 04:18:32 UTC", "accession": "NP0000015", "secondary_accessions": null, "name": "Itaconic acid", "description": "Itaconic acid is a dicarboxylic acid that is methacrylic acid in which one of the methyl hydrogens is substituted by a... |
NP0000016 | Muramic acid | C[C@@H](O[C@H]1[C@@H](N)[C@H](O)O[C@H](CO)[C@H]1O)C(O)=O | InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7+,9-/m1/s1 | MSFSPUZXLOGKHJ-LEISLEKSSA-N | C9H17NO7 | 2006-05-22 15:12:45 UTC | 2021-06-29 00:47:43 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 15:12:45 UTC", "update_date": "2021-06-29 00:47:43 UTC", "accession": "NP0000016", "secondary_accessions": null, "name": "Muramic acid", "description": "Muramic acid is an amino sugar acid. In terms of chemical composition, it is the ether of lactic acid and glucosamine. ... |
NP0000017 | Gentisic acid | OC(=O)C1=C(O)C=CC(O)=C1 | InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11) | WXTMDXOMEHJXQO-UHFFFAOYSA-N | C7H6O4 | 2005-11-16 15:48:42 UTC | 2024-09-03 04:19:19 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2024-09-03 04:19:19 UTC", "accession": "NP0000017", "secondary_accessions": null, "name": "Gentisic acid", "description": "Gentisic acid, also known as gentisate or 2,5-dioxybenzoate, belongs to the class of organic compounds known as hydrox... |
NP0000018 | Trigonelline | C[N+]1=CC=CC(=C1)C([O-])=O | InChI=1S/C7H7NO2/c1-8-4-2-3-6(5-8)7(9)10/h2-5H,1H3 | WWNNZCOKKKDOPX-UHFFFAOYSA-N | C7H7NO2 | 2005-11-16 15:48:42 UTC | 2024-09-03 04:16:28 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2024-09-03 04:16:28 UTC", "accession": "NP0000018", "secondary_accessions": null, "name": "Trigonelline", "description": "Trigonelline, also known as caffearin or gynesine, belongs to the class of organic compounds known as alkaloids and der... |
NP0000019 | p-Anisic acid | COC1=CC=C(C=C1)C(O)=O | InChI=1S/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10) | ZEYHEAKUIGZSGI-UHFFFAOYSA-N | C8H8O3 | 2005-11-16 15:48:42 UTC | 2021-10-07 20:40:08 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:40:08 UTC", "accession": "NP0000019", "secondary_accessions": null, "name": "p-Anisic acid", "description": "p-Anisic acid, also known as 4-anisate or draconic acid, belongs to the class of organic compounds known as p-methoxyb... |
NP0000020 | alpha-Tocopherol | CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(C)C(O)=C(C)C(C)=C2O1 | InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1 | GVJHHUAWPYXKBD-IEOSBIPESA-N | C29H50O2 | 2006-03-08 13:03:03 UTC | 2024-09-03 04:21:46 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-03-08 13:03:03 UTC", "update_date": "2024-09-03 04:21:46 UTC", "accession": "NP0000020", "secondary_accessions": null, "name": "alpha-Tocopherol", "description": "alpha-Tocopherol is traditionally recognized as the most active form of vitamin E in humans and is a powerful biolo... |
NP0000021 | Erucic acid | [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCC(O)=O | InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)/b10-9- | DPUOLQHDNGRHBS-KTKRTIGZSA-N | C22H42O2 | 2006-05-22 14:17:35 UTC | 2021-08-19 20:22:29 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 14:17:35 UTC", "update_date": "2021-08-19 20:22:29 UTC", "accession": "NP0000021", "secondary_accessions": null, "name": "Erucic acid", "description": "Erucic acid is a 22-carbon, monounsaturated omega-9 fatty acid found mainly in the Brassica family of plants such as can... |
NP0000022 | Syringic acid | COC1=CC(=CC(OC)=C1O)C(O)=O | InChI=1S/C9H10O5/c1-13-6-3-5(9(11)12)4-7(14-2)8(6)10/h3-4,10H,1-2H3,(H,11,12) | JMSVCTWVEWCHDZ-UHFFFAOYSA-N | C9H10O5 | 2006-05-22 14:17:35 UTC | 2024-09-03 04:16:28 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 14:17:35 UTC", "update_date": "2024-09-03 04:16:28 UTC", "accession": "NP0000022", "secondary_accessions": null, "name": "Syringic acid", "description": "Syringic acid, also known as syringate or cedar acid, belongs to the class of organic compounds known as gallic acid a... |
NP0000023 | Raffinose | [H][C@]1(CO)O[C@@](CO)(O[C@@]2([H])O[C@]([H])(CO[C@@]3([H])O[C@]([H])(CO)[C@]([H])(O)[C@]([H])(O)[C@@]3([H])O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O | InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2/t5-,6-,7-,8+,9-,10-,11+,12+,13-,14-,15+,16+,17-,18+/m1/s1 | MUPFEKGTMRGPLJ-ZQSKZDJDSA-N | C18H32O16 | 2006-05-22 15:12:41 UTC | 2024-09-03 04:18:44 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 15:12:41 UTC", "update_date": "2024-09-03 04:18:44 UTC", "accession": "NP0000023", "secondary_accessions": null, "name": "Raffinose", "description": "Raffinose is a complex carbohydrate. It is a trisaccharide composed of galactose, fructose, and glucose. It can be found i... |
NP0000024 | Genistein | [H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C([H])C(O[H])=C([H])C(O[H])=C2C1=O | InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H | TZBJGXHYKVUXJN-UHFFFAOYSA-N | C15H10O5 | 2006-05-22 15:12:42 UTC | 2024-09-03 04:17:07 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 15:12:42 UTC", "update_date": "2024-09-03 04:17:07 UTC", "accession": "NP0000024", "secondary_accessions": null, "name": "Genistein", "description": "Genistein is one of several known isoflavones. Isoflavones compounds, such as genistein and daidzein, are found in a numbe... |
NP0000025 | Daidzein | [H]OC1=C([H])C([H])=C(C([H])=C1[H])C1=C([H])OC2=C([H])C(O[H])=C([H])C([H])=C2C1=O | InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H | ZQSIJRDFPHDXIC-UHFFFAOYSA-N | C15H10O4 | 2006-05-22 15:12:49 UTC | 2024-09-03 04:17:07 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 15:12:49 UTC", "update_date": "2024-09-03 04:17:07 UTC", "accession": "NP0000025", "secondary_accessions": null, "name": "Daidzein", "description": "Daidzein is one of several known isoflavones. Isoflavones compounds are found in a number of plants, but soybeans and soy p... |
NP0000027 | Aesculetin | OC1=C(O)C=C2C=CC(=O)OC2=C1 | InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H | ILEDWLMCKZNDJK-UHFFFAOYSA-N | C9H6O4 | 2012-09-11 17:39:14 UTC | 2024-09-03 04:19:19 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2012-09-11 17:39:14 UTC", "update_date": "2024-09-03 04:19:19 UTC", "accession": "NP0000027", "secondary_accessions": null, "name": "Aesculetin", "description": "Aesculetin, also known as cichorigenin or cichoriin aglucon, belongs to the class of organic compounds known as 6,7-dihyd... |
NP0000030 | Safrole | C=CCC1=CC2=C(OCO2)C=C1 | InChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2 | ZMQAAUBTXCXRIC-UHFFFAOYSA-N | C10H10O2 | 2012-09-11 18:20:11 UTC | 2024-09-03 04:15:57 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2012-09-11 18:20:11 UTC", "update_date": "2024-09-03 04:15:57 UTC", "accession": "NP0000030", "secondary_accessions": null, "name": "Safrole", "description": "Safrole, also known as shikimol, is a colorless or slightly yellow oily liquid. It is typically extracted from the root-bark... |
NP0000033 | Cytarabine | NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O | InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1 | UHDGCWIWMRVCDJ-CCXZUQQUSA-N | C9H13N3O5 | 2012-09-06 15:16:51 UTC | 2021-08-19 20:22:30 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2012-09-06 15:16:51 UTC", "update_date": "2021-08-19 20:22:30 UTC", "accession": "NP0000033", "secondary_accessions": null, "name": "Cytarabine", "description": "Cytarabine, or cytosine arabinoside, a pyrimidine nucleoside analog, is found in mushrooms. Cytarabine is isolated from t... |
NP0000034 | Anatabine | C1N[C@@H](CC=C1)C1=CN=CC=C1 | InChI=1S/C10H12N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-4,6,8,10,12H,5,7H2/t10-/m0/s1 | SOPPBXUYQGUQHE-JTQLQIEISA-N | C10H12N2 | 2006-08-13 19:32:00 UTC | 2021-06-29 00:53:48 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-08-13 19:32:00 UTC", "update_date": "2021-06-29 00:53:48 UTC", "accession": "NP0000034", "secondary_accessions": null, "name": "Anatabine", "description": "Anatabine is one of the minor alkaloids found in plants in the family Solanaceae, which includes the tobacco plant and tom... |
NP0000035 | Hesperetin | COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1 | InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1 | AIONOLUJZLIMTK-AWEZNQCLSA-N | C16H14O6 | 2007-01-22 09:25:30 UTC | 2024-09-03 04:16:54 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2007-01-22 09:25:30 UTC", "update_date": "2024-09-03 04:16:54 UTC", "accession": "NP0000035", "secondary_accessions": null, "name": "Hesperetin", "description": "Hesperetin, also known as prestwick_908 or YSO2, belongs to the class of organic compounds known as 4'-o-methylated flavo... |
NP0000036 | Methylglutaric acid | CC(CC(O)=O)CC(O)=O | InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) | XJMMNTGIMDZPMU-UHFFFAOYSA-N | C6H10O4 | 2005-11-16 15:48:42 UTC | 2020-11-24 22:12:19 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2020-11-24 22:12:19 UTC", "accession": "NP0000036", "secondary_accessions": null, "name": "Methylglutaric acid", "description": "Methylglutaric acid is a leucine metabolite. A large amount of methylglutaric acid is identified in urine of pat... |
NP0000037 | Octanol | [H]OC([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H] | InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 | KBPLFHHGFOOTCA-UHFFFAOYSA-N | C8H18O | 2005-11-16 15:48:42 UTC | 2021-10-07 20:40:10 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:40:10 UTC", "accession": "NP0000037", "secondary_accessions": null, "name": "Octanol", "description": "1-Octanol, also known as octan-1-ol, is the organic compound with the molecular formula CH3(CH2)7OH. It is a fatty alcohol. ... |
NP0000038 | Triethyl citrate | CCOC(=O)CC(O)(CC(=O)OCC)C(=O)OCC | InChI=1S/C12H20O7/c1-4-17-9(13)7-12(16,11(15)19-6-3)8-10(14)18-5-2/h16H,4-8H2,1-3H3 | DOOTYTYQINUNNV-UHFFFAOYSA-N | C12H20O7 | 2012-09-11 19:04:02 UTC | 2024-09-03 04:22:51 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2012-09-11 19:04:02 UTC", "update_date": "2024-09-03 04:22:51 UTC", "accession": "NP0000038", "secondary_accessions": null, "name": "Triethyl citrate", "description": "Triethyl citrate is used in foods as a flavouring agent, solvent and surface-active agent Triethyl citrate is an es... |
NP0000040 | Vaccenic acid | CCCCCC\C=C\CCCCCCCCCC(O)=O | InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+ | UWHZIFQPPBDJPM-BQYQJAHWSA-N | C18H34O2 | 2006-05-22 15:12:43 UTC | 2021-06-29 00:47:42 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 15:12:43 UTC", "update_date": "2021-06-29 00:47:42 UTC", "accession": "NP0000040", "secondary_accessions": null, "name": "Vaccenic acid", "description": "Vaccenic acid is a naturally occurring trans fatty acid. It is the predominant kind of trans-fatty acid found in human... |
NP0000041 | Tetracosanoic acid | CCCCCCCCCCCCCCCCCCCCCCCC(O)=O | InChI=1S/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H2,1H3,(H,25,26) | QZZGJDVWLFXDLK-UHFFFAOYSA-N | C24H48O2 | 2006-05-22 14:17:31 UTC | 2024-09-03 04:22:50 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 14:17:31 UTC", "update_date": "2024-09-03 04:22:50 UTC", "accession": "NP0000041", "secondary_accessions": null, "name": "Tetracosanoic acid", "description": "Tetracosanoic acid is a C24 straight-chain saturated fatty acid. It has a role as a volatile oil component, a pla... |
NP0000043 | FAPy-adenine | NC1=NC=NC(N)=C1NC=O | InChI=1S/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9) | MVYUVUOSXNYQLL-UHFFFAOYSA-N | C5H7N5O | 2006-08-24 12:46:15 UTC | 2021-06-30 02:06:03 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-08-24 12:46:15 UTC", "update_date": "2021-06-30 02:06:03 UTC", "accession": "NP0000043", "secondary_accessions": null, "name": "FAPy-adenine", "description": "Fapy-adenine is an oxidized DNA base. Oxidized nucleosides are biochemical markers for tumors, aging, and neurodegenera... |
NP0000045 | Fumaric acid | [H]\C(=C(\[H])C(O)=O)C(O)=O | InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+ | VZCYOOQTPOCHFL-OWOJBTEDSA-N | C4H4O4 | 2005-11-16 15:48:42 UTC | 2022-01-09 18:08:23 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2022-01-09 18:08:23 UTC", "accession": "NP0000045", "secondary_accessions": null, "name": "Fumaric acid", "description": "Fumaric acid is a dicarboxylic acid. It is a precursor to L-malate in the Krebs tricarboxylic acid (TCA) cycle. It is f... |
NP0000046 | Alpha-D-Glucose 1,6-bisphosphate | [H][C@]1(O)[C@]([H])(O)[C@@]([H])(COP(O)(O)=O)O[C@]([H])(OP(O)(O)=O)[C@]1([H])O | InChI=1S/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)/t2-,3-,4+,5-,6-/m1/s1 | RWHOZGRAXYWRNX-VFUOTHLCSA-N | C6H14O12P2 | 2006-08-12 22:34:16 UTC | 2021-06-29 00:47:49 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-08-12 22:34:16 UTC", "update_date": "2021-06-29 00:47:49 UTC", "accession": "NP0000046", "secondary_accessions": null, "name": "Alpha-D-Glucose 1,6-bisphosphate", "description": "Glucose 1,6-diphosphate (G-1,6-P2) is considered to be a major regulator of carbohydrate metabolism... |
NP0000047 | Paraxanthine | CN1C=NC2=C1C(=O)N(C)C(O)=N2 | InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13) | QUNWUDVFRNGTCO-UHFFFAOYSA-N | C7H8N4O2 | 2006-02-22 11:10:26 UTC | 2021-06-29 00:47:13 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-02-22 11:10:26 UTC", "update_date": "2021-06-29 00:47:13 UTC", "accession": "NP0000047", "secondary_accessions": null, "name": "Paraxanthine", "description": "Paraxanthine, also known as p-xanthine, belongs to the class of organic compounds known as xanthines. These are purine ... |
NP0000048 | Tetradecanedioic acid | OC(=O)CCCCCCCCCCCCC(O)=O | InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18) | HQHCYKULIHKCEB-UHFFFAOYSA-N | C14H26O4 | 2005-11-16 15:48:42 UTC | 2024-09-03 04:22:50 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2024-09-03 04:22:50 UTC", "accession": "NP0000048", "secondary_accessions": null, "name": "Tetradecanedioic acid", "description": "Tetradecanedioic acid, also known as 1,14-tetradecanedioate or NSC 9504, belongs to the class of organic compo... |
NP0000051 | 1H-Indole-3-acetamide | [H]N([H])C(=O)C([H])([H])C1=C([H])N([H])C2=C([H])C([H])=C([H])C([H])=C12 | InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) | ZOAMBXDOGPRZLP-UHFFFAOYSA-N | C10H10N2O | 2012-09-11 17:32:20 UTC | 2024-09-03 04:22:20 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2012-09-11 17:32:20 UTC", "update_date": "2024-09-03 04:22:20 UTC", "accession": "NP0000051", "secondary_accessions": null, "name": "1H-Indole-3-acetamide", "description": "Indole-3-acetamide, also known as 2-(3-indolyl)acetamide or IAM, belongs to the class of organic compounds kno... |
NP0000052 | 2-Hydroxybutyric acid | CCC(O)C(O)=O | InChI=1S/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7) | AFENDNXGAFYKQO-UHFFFAOYSA-N | C4H8O3 | 2005-11-16 15:48:42 UTC | 2022-01-17 18:53:24 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2022-01-17 18:53:24 UTC", "accession": "NP0000052", "secondary_accessions": null, "name": "2-Hydroxybutyric acid", "description": "2-Hydroxybutyric acid (alpha-hydroxybutyrate) is an organic acid derived from alpha-ketobutyrate. alpha-Ketobu... |
NP0000053 | Sumiki's acid | OCC1=CC=C(O1)C(O)=O | InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9) | PCSKKIUURRTAEM-UHFFFAOYSA-N | C6H6O4 | 2006-05-22 14:17:53 UTC | 2024-09-03 04:19:09 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 14:17:53 UTC", "update_date": "2024-09-03 04:19:09 UTC", "accession": "NP0000053", "secondary_accessions": null, "name": "Sumiki's acid", "description": "Sumiki's acid is a naturally occurring human metabolite (PMID: 949837). Sumiki's acid was first identified in the urin... |
NP0000055 | 5-Aminolevulinic acid | NCC(=O)CCC(O)=O | InChI=1S/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9) | ZGXJTSGNIOSYLO-UHFFFAOYSA-N | C5H9NO3 | 2005-11-16 15:48:42 UTC | 2021-08-15 04:56:49 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-15 04:56:49 UTC", "accession": "NP0000055", "secondary_accessions": null, "name": "5-Aminolevulinic acid", "description": "5-Aminolevulinic acid, also known as 5-aminolevulinate or 5-amino-4-oxopentanoate, belongs to the class of org... |
NP0000056 | L-Acetylcarnitine | CC(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C | InChI=1S/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3/t8-/m1/s1 | RDHQFKQIGNGIED-MRVPVSSYSA-N | C9H17NO4 | 2005-11-16 15:48:42 UTC | 2021-08-19 20:22:31 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-19 20:22:31 UTC", "accession": "NP0000056", "secondary_accessions": null, "name": "L-Acetylcarnitine", "description": "L-Acetylcarnitine (Acetylcarnitine or ALC or LAC) is an acetic acid ester of carnitine that facilitates the moveme... |
NP0000058 | Tryptamine | NCCC1=CNC2=CC=CC=C12 | InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 | APJYDQYYACXCRM-UHFFFAOYSA-N | C10H12N2 | 2005-11-16 15:48:42 UTC | 2021-10-07 20:39:32 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:39:32 UTC", "accession": "NP0000058", "secondary_accessions": null, "name": "Tryptamine", "description": "Tryptamine is a monoamine compound that is common precursor molecule to many hormones and neurotransmitters. Biosynthesis... |
NP0000060 | N-Acetylglutamine | CC(=O)N[C@@H](CCC(N)=O)C(O)=O | InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m0/s1 | KSMRODHGGIIXDV-YFKPBYRVSA-N | C7H12N2O4 | 2007-04-12 20:38:27 UTC | 2021-08-19 20:22:31 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2007-04-12 20:38:27 UTC", "update_date": "2021-08-19 20:22:31 UTC", "accession": "NP0000060", "secondary_accessions": null, "name": "N-Acetylglutamine", "description": "N-Acetylglutamine (NAcGln) is a modified amino acid (an acetylated analogue of glutamine) and is a metabolite pres... |
NP0000061 | 3-Pyridylacetic acid | OC(=O)CC1=CN=CC=C1 | InChI=1S/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10) | WGNUNYPERJMVRM-UHFFFAOYSA-N | C7H7NO2 | 2005-11-16 15:48:42 UTC | 2021-08-15 04:56:50 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-15 04:56:50 UTC", "accession": "NP0000061", "secondary_accessions": null, "name": "3-Pyridylacetic acid", "description": "3-Pyridylacetic acid is a breakdown product of nicotine (and other tobacco alkaloids) and is part of the nicoti... |
NP0000063 | Suberylglycine | OC(=O)CCCCCCC(=O)NCC(O)=O | InChI=1S/C10H17NO5/c12-8(11-7-10(15)16)5-3-1-2-4-6-9(13)14/h1-7H2,(H,11,12)(H,13,14)(H,15,16) | HXATVKDSYDWTCX-UHFFFAOYSA-N | C10H17NO5 | 2005-11-16 15:48:42 UTC | 2020-11-24 22:12:32 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2020-11-24 22:12:32 UTC", "accession": "NP0000063", "secondary_accessions": null, "name": "Suberylglycine", "description": "Suberylglycine is an acyl glycine. Acyl glycines are normally minor metabolites of fatty acids. However, the excretio... |
NP0000064 | Indole-3-carbinol | OCC1=CNC2=C1C=CC=C2 | InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2 | IVYPNXXAYMYVSP-UHFFFAOYSA-N | C9H9NO | 2007-01-22 13:00:01 UTC | 2024-09-03 04:17:59 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2007-01-22 13:00:01 UTC", "update_date": "2024-09-03 04:17:59 UTC", "accession": "NP0000064", "secondary_accessions": null, "name": "Indole-3-carbinol", "description": "Indole-3-carbinol, also known as 3-indolylcarbinol or 1H-indole-3-methanol, belongs to the class of organic compou... |
NP0000067 | 5-Methoxysalicylic acid | COC1=CC(C(O)=O)=C(O)C=C1 | InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) | IZZIWIAOVZOBLF-UHFFFAOYSA-N | C8H8O4 | 2006-02-23 11:14:42 UTC | 2024-09-03 04:16:28 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-02-23 11:14:42 UTC", "update_date": "2024-09-03 04:16:28 UTC", "accession": "NP0000067", "secondary_accessions": null, "name": "5-Methoxysalicylic acid", "description": "5-methoxysalicylic acid is a methoxysalicylic acid that is salicylic acid which is carrying a methoxy group ... |
NP0000068 | Adenosine diphosphate | [H][C@]1(COP(O)(=O)OP(O)(O)=O)O[C@@]([H])(N2C=NC3=C(N)N=CN=C23)[C@]([H])(O)[C@]1([H])O | InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | XTWYTFMLZFPYCI-KQYNXXCUSA-N | C10H15N5O10P2 | 2005-11-16 15:48:42 UTC | 2021-08-15 04:56:50 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-15 04:56:50 UTC", "accession": "NP0000068", "secondary_accessions": null, "name": "Adenosine diphosphate", "description": "Adenosine diphosphate (ADP), also known as adenosine pyrophosphate (APP), is an important organic compound in ... |
NP0000069 | Methylsuccinic acid | CC(CC(O)=O)C(O)=O | InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9) | WXUAQHNMJWJLTG-UHFFFAOYSA-N | C5H8O4 | 2006-02-02 11:25:17 UTC | 2021-10-07 20:41:28 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-02-02 11:25:17 UTC", "update_date": "2021-10-07 20:41:28 UTC", "accession": "NP0000069", "secondary_accessions": null, "name": "Methylsuccinic acid", "description": "Methylsuccinic acid (CAS: 498-21-5) is a normal metabolite found in human fluids. Increased urinary levels of me... |
NP0000070 | Senecioic acid | CC(C)=CC(O)=O | InChI=1S/C5H8O2/c1-4(2)3-5(6)7/h3H,1-2H3,(H,6,7) | YYPNJNDODFVZLE-UHFFFAOYSA-N | C5H8O2 | 2005-11-16 15:48:42 UTC | 2021-08-19 20:22:32 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-19 20:22:32 UTC", "accession": "NP0000070", "secondary_accessions": null, "name": "Senecioic acid", "description": "Senecioic acid, also known as 3-methylcrotonate, 3-methylcrotonic acid or 3,3-dimethylacrylic acid, belongs to the cl... |
NP0000071 | 2-Naphthol | OC1=CC2=CC=CC=C2C=C1 | InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H | JWAZRIHNYRIHIV-UHFFFAOYSA-N | C10H8O | 2009-05-06 10:25:57 UTC | 2024-09-03 04:21:52 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2009-05-06 10:25:57 UTC", "update_date": "2024-09-03 04:21:52 UTC", "accession": "NP0000071", "secondary_accessions": null, "name": "2-Naphthol", "description": "2-Naphthol is a colorless crystalline solid and an isomer of 1-naphthol, differing by the location of the hydroxyl group ... |
NP0000072 | D-Glucose | [H]C1(O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O | InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1 | WQZGKKKJIJFFOK-GASJEMHNSA-N | C6H12O6 | 2005-11-16 15:48:42 UTC | 2021-10-07 20:42:07 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:42:07 UTC", "accession": "NP0000072", "secondary_accessions": null, "name": "D-Glucose", "description": "Glucose is a monosaccharide containing six carbon atoms and an aldehyde group. It is referred to as an aldohexose. The glu... |
NP0000073 | Isovaleric acid | CC(C)CC(O)=O | InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) | GWYFCOCPABKNJV-UHFFFAOYSA-N | C5H10O2 | 2005-11-16 15:48:42 UTC | 2021-10-07 20:39:50 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:39:50 UTC", "accession": "NP0000073", "secondary_accessions": null, "name": "Isovaleric acid", "description": "Isovaleric acid, is a natural fatty acid found in a wide variety of plants and essential oils. Isovaleric acid is cl... |
NP0000074 | 3-Methyladipic acid | C[C@@H](CCC(O)=O)CC(O)=O | InChI=1S/C7H12O4/c1-5(4-7(10)11)2-3-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11)/t5-/m0/s1 | SYEOWUNSTUDKGM-YFKPBYRVSA-N | C7H12O4 | 2005-11-16 15:48:42 UTC | 2021-10-07 20:42:32 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:42:32 UTC", "accession": "NP0000074", "secondary_accessions": null, "name": "3-Methyladipic acid", "description": "3-Methyladipic acid is a metabolite of the catabolism of phytanic acid. Patients with adult Refsums disease (ARD... |
NP0000075 | Ribitol | OC[C@H](O)[C@H](O)[C@H](O)CO | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5- | HEBKCHPVOIAQTA-ZXFHETKHSA-N | C5H12O5 | 2005-11-16 15:48:42 UTC | 2021-08-19 20:22:32 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-19 20:22:32 UTC", "accession": "NP0000075", "secondary_accessions": null, "name": "Ribitol", "description": "Ribitol is a pentose alcohol formed by the reduction of ribose. It occurs naturally in plants as well as in the cell walls o... |
NP0000076 | Gamma-Butyrolactone | O=C1CCCO1 | InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2 | YEJRWHAVMIAJKC-UHFFFAOYSA-N | C4H6O2 | 2005-11-16 15:48:42 UTC | 2021-10-07 20:39:42 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:39:42 UTC", "accession": "NP0000076", "secondary_accessions": null, "name": "Gamma-Butyrolactone", "description": "Gamma-butyrolactone (GBL), also known as 1,4-butanolide or 1,4-lactone, belongs to the class of organic compound... |
NP0000077 | Pyroglutamic acid | OC(=O)[C@@H]1CCC(=O)N1 | InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1 | ODHCTXKNWHHXJC-VKHMYHEASA-N | C5H7NO3 | 2005-11-16 15:48:42 UTC | 2022-02-09 15:48:28 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2022-02-09 15:48:28 UTC", "accession": "NP0000077", "secondary_accessions": null, "name": "Pyroglutamic acid", "description": "Pyroglutamic acid (5-oxoproline) is a cyclized derivative of L-glutamic acid. It is an uncommon amino acid derivat... |
NP0000081 | N-Acetyl-L-aspartic acid | CC(=O)N[C@@H](CC(O)=O)C(O)=O | InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1 | OTCCIMWXFLJLIA-BYPYZUCNSA-N | C6H9NO5 | 2005-11-16 15:48:42 UTC | 2021-08-09 22:33:30 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-09 22:33:30 UTC", "accession": "NP0000081", "secondary_accessions": null, "name": "N-Acetyl-L-aspartic acid", "description": "N-Acetyl-L-Aspartic acid (NAA) or N-Acetylaspartic acid, belongs to the class of organic compounds known as... |
NP0000084 | Piperine | [H]\C(\C(\[H])=C(/[H])C1=C([H])C([H])=C2OC([H])([H])OC2=C1[H])=C(\[H])C(=O)N1C([H])([H])C([H])([H])C([H])([H])C([H])([H])C1([H])[H] | InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2/b6-2+,7-3+ | MXXWOMGUGJBKIW-YPCIICBESA-N | C17H19NO3 | 2012-09-11 17:30:03 UTC | 2021-08-19 20:22:33 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2012-09-11 17:30:03 UTC", "update_date": "2021-08-19 20:22:33 UTC", "accession": "NP0000084", "secondary_accessions": null, "name": "Piperine", "description": "Piperine, also known as fema 2909, belongs to the class of organic compounds known as alkaloids and derivatives. These are ... |
NP0000087 | alpha-Ketoisovaleric acid | CC(C)C(=O)C(O)=O | InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8) | QHKABHOOEWYVLI-UHFFFAOYSA-N | C5H8O3 | 2005-11-16 15:48:42 UTC | 2022-01-11 19:07:20 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2022-01-11 19:07:20 UTC", "accession": "NP0000087", "secondary_accessions": null, "name": "alpha-Ketoisovaleric acid", "description": "alpha-Ketoisovaleric acid is an abnormal metabolite that arises from the incomplete breakdown of branched-... |
NP0000088 | Orotidine | [H]OC(=O)C1=C([H])C(=O)N([H])C(=O)N1[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@@]1([H])O[H] | InChI=1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1 | FKCRAVPPBFWEJD-XVFCMESISA-N | C10H12N2O8 | 2005-11-16 15:48:42 UTC | 2021-08-16 18:04:13 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-16 18:04:13 UTC", "accession": "NP0000088", "secondary_accessions": null, "name": "Orotidine", "description": "Orotidine is a nucleoside formed by attaching orotic acid to a ribose ring via a beta-N1-glycosidic bond. It is a water-so... |
NP0000090 | Deoxycorticosterone | [H][C@@]12CC[C@H](C(=O)CO)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C | InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1 | ZESRJSPZRDMNHY-YFWFAHHUSA-N | C21H30O3 | 2005-11-16 15:48:42 UTC | 2021-10-07 20:38:56 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:38:56 UTC", "accession": "NP0000090", "secondary_accessions": null, "name": "Deoxycorticosterone", "description": "11-Deoxycorticosterone (also called desoxycortone, 21-hydroxyprogesterone, DOC, or simply deoxycorticosterone) i... |
NP0000091 | Adenosine monophosphate | NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1 | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | UDMBCSSLTHHNCD-KQYNXXCUSA-N | C10H14N5O7P | 2005-11-16 15:48:42 UTC | 2021-10-07 20:38:31 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:38:31 UTC", "accession": "NP0000091", "secondary_accessions": null, "name": "Adenosine monophosphate", "description": "Adenosine monophosphate, also known as 5'-adenylic acid and abbreviated AMP, is a nucleotide that is found i... |
NP0000092 | Glyoxylic acid | OC(=O)C=O | InChI=1S/C2H2O3/c3-1-2(4)5/h1H,(H,4,5) | HHLFWLYXYJOTON-UHFFFAOYSA-N | C2H2O3 | 2005-11-16 15:48:42 UTC | 2021-08-15 04:56:44 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-15 04:56:44 UTC", "accession": "NP0000092", "secondary_accessions": null, "name": "Glyoxylic acid", "description": "Glyoxylic acid or oxoacetic acid is an organic compound that is both an aldehyde and a carboxylic acid. Glyoxylic aci... |
NP0000093 | Caffeic acid | OC(=O)\C=C/C1=CC(O)=C(O)C=C1 | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2- | QAIPRVGONGVQAS-RQOWECAXSA-N | C9H8O4 | 2006-05-22 14:17:29 UTC | 2024-09-03 04:15:59 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 14:17:29 UTC", "update_date": "2024-09-03 04:15:59 UTC", "accession": "NP0000093", "secondary_accessions": null, "name": "Caffeic acid", "description": "Caffeic acid, also known as caffeate, belongs to the class of organic compounds known as hydroxycinnamic acids. Hydroxy... |
NP0000094 | Phosphoserine | N[C@@H](COP(O)(O)=O)C(O)=O | InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1 | BZQFBWGGLXLEPQ-REOHCLBHSA-N | C3H8NO6P | 2005-11-16 15:48:42 UTC | 2021-07-01 14:27:28 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-07-01 14:27:28 UTC", "accession": "NP0000094", "secondary_accessions": null, "name": "Phosphoserine", "description": "Phosphoserine is the phosphoric acid ester of the amino acid serine. It is found in essentially all living organisms r... |
NP0000095 | Hyodeoxycholic acid | [H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](O)C2C[C@H](O)CC[C@]12C | InChI=1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20?,21+,23-,24-/m1/s1 | DGABKXLVXPYZII-CDONHWFASA-N | C24H40O4 | 2005-11-16 15:48:42 UTC | 2024-09-03 04:17:42 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2024-09-03 04:17:42 UTC", "accession": "NP0000095", "secondary_accessions": null, "name": "Hyodeoxycholic acid", "description": "Hyodeoxycholic acid is a bile acid. Bile acids are steroid acids found predominantly in bile of mammals. The dis... |
NP0000098 | 5-Hydroxyindoleacetic acid | OC(=O)CC1=CNC2=CC=C(O)C=C12 | InChI=1S/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14) | DUUGKQCEGZLZNO-UHFFFAOYSA-N | C10H9NO3 | 2005-11-16 15:48:42 UTC | 2021-08-16 18:04:09 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-16 18:04:09 UTC", "accession": "NP0000098", "secondary_accessions": null, "name": "5-Hydroxyindoleacetic acid", "description": "5-Hydroxyindoleacetic acid, also known as 5-hydroxyindole-3-acetate or 5-HIAA, belongs to the class of or... |
NP0000101 | Propylene glycol | CC(O)CO | InChI=1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3 | DNIAPMSPPWPWGF-UHFFFAOYSA-N | C3H8O2 | 2006-02-24 13:28:50 UTC | 2022-04-04 17:16:52 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-02-24 13:28:50 UTC", "update_date": "2022-04-04 17:16:52 UTC", "accession": "NP0000101", "secondary_accessions": null, "name": "Propylene glycol", "description": "Propylene glycol (CAS: 57-55-6), also known as 1,2-propanediol, is an organic compound (a diol alcohol), usually a ... |
NP0000103 | Oxoglutaric acid | OC(=O)CCC(=O)C(O)=O | InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) | KPGXRSRHYNQIFN-UHFFFAOYSA-N | C5H6O5 | 2005-11-16 15:48:42 UTC | 2022-02-04 03:13:46 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2022-02-04 03:13:46 UTC", "accession": "NP0000103", "secondary_accessions": null, "name": "Oxoglutaric acid", "description": "Oxoglutaric acid, also known as alpha-ketoglutarate, alpha-ketoglutaric acid, AKG, or 2-oxoglutaric acid, is classi... |
NP0000107 | 6-Hydroxydopamine | NCCC1=C(O)C=C(O)C(O)=C1 | InChI=1S/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2 | DIVDFFZHCJEHGG-UHFFFAOYSA-N | C8H11NO3 | 2005-11-16 15:48:42 UTC | 2021-06-29 00:47:06 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-06-29 00:47:06 UTC", "accession": "NP0000107", "secondary_accessions": null, "name": "6-Hydroxydopamine", "description": "6-Hydroxydopamine, also known as 6-OHDA or oxidopamina, belongs to the class of organic compounds known as catecho... |
NP0000110 | 3,4,5-Trimethoxycinnamic acid | COC1=CC(\C=C\C(O)=O)=CC(OC)=C1OC | InChI=1S/C12H14O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h4-7H,1-3H3,(H,13,14)/b5-4+ | YTFVRYKNXDADBI-SNAWJCMRSA-N | C12H14O5 | 2006-05-22 14:17:55 UTC | 2024-09-03 04:17:30 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 14:17:55 UTC", "update_date": "2024-09-03 04:17:30 UTC", "accession": "NP0000110", "secondary_accessions": null, "name": "3,4,5-Trimethoxycinnamic acid", "description": "3, 4, 5-trimethoxycinnamic acid is a methoxycinnamic acid with three methoxy substituents at the 3-, 4... |
NP0000111 | cis-4-Octenedioic acid | OC(=O)CC\C=C/CCC(O)=O | InChI=1S/C8H12O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-2H,3-6H2,(H,9,10)(H,11,12)/b2-1- | LQVYKEXVMZXOAH-UPHRSURJSA-N | C8H12O4 | 2005-11-16 15:48:42 UTC | 2021-06-30 02:06:04 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-06-30 02:06:04 UTC", "accession": "NP0000111", "secondary_accessions": null, "name": "cis-4-Octenedioic acid", "description": "cis-4-Octenedioic acid, also known as (Z)-4-octene-1,8-dioate, belongs to the class of organic compounds know... |
NP0000112 | Maltotetraose | [H]OC([H])([H])[C@@]1([H])O[C@]([H])(O[C@@]2([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]3([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[C@@]4([H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@@]([H])(O[H])O[C@]4([H])C([H])([H])O[H])O[C@]3([H])C([H])([H])O[H])O[C@]2([H])C([H])([H])O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]... | InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1 | LUEWUZLMQUOBSB-AYQJAVFRSA-N | C24H42O21 | 2005-11-16 15:48:42 UTC | 2021-08-15 04:47:08 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-15 04:47:08 UTC", "accession": "NP0000112", "secondary_accessions": null, "name": "Maltotetraose", "description": "Maltotetraose belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of ... |
NP0000113 | Methyl propenyl ketone | C\C=C\C(C)=O | InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+ | LABTWGUMFABVFG-ONEGZZNKSA-N | C5H8O | 2005-11-16 15:48:42 UTC | 2021-10-07 20:40:11 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:40:11 UTC", "accession": "NP0000113", "secondary_accessions": {"accession": "NP0073070"}, "name": "Methyl propenyl ketone", "description": "Methyl propenyl ketone, also known as (3E)-3-penten-2-one or 2-oxo-3-pentene, belongs t... |
NP0000114 | Mevalonic acid | CC(O)(CCO)CC(O)=O | InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9) | KJTLQQUUPVSXIM-UHFFFAOYSA-N | C6H12O4 | 2005-11-16 15:48:42 UTC | 2021-08-15 04:56:45 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-15 04:56:45 UTC", "accession": "NP0000114", "secondary_accessions": null, "name": "Mevalonic acid", "description": "Mevalonic acid, also known as MVA, mevalonate, or hiochic acid, belongs to the class of organic compounds known as hy... |
NP0000117 | Sphinganine | CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO | InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3/t17-,18+/m0/s1 | OTKJDMGTUTTYMP-ZWKOTPCHSA-N | C18H39NO2 | 2005-11-16 15:48:42 UTC | 2021-08-19 20:22:34 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-08-19 20:22:34 UTC", "accession": "NP0000117", "secondary_accessions": null, "name": "Sphinganine", "description": "Sphinganine is a blocker postlysosomal cholesterol transport by inhibition of low-density lipoprotein-induced esterifica... |
NP0000119 | Ornithine | NCCC[C@H](N)C(O)=O | InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1 | AHLPHDHHMVZTML-BYPYZUCNSA-N | C5H12N2O2 | 2005-11-16 15:48:42 UTC | 2022-02-06 02:12:16 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2022-02-06 02:12:16 UTC", "accession": "NP0000119", "secondary_accessions": null, "name": "Ornithine", "description": "Ornithine or L-ornithine, also known as (S)-2,5-diaminopentanoic acid is a member of the class of compounds known as L-alp... |
NP0000120 | L-Cysteine | N[C@@H](CS)C(O)=O | InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | XUJNEKJLAYXESH-REOHCLBHSA-N | C3H7NO2S | 2005-11-16 15:48:42 UTC | 2021-10-07 20:39:44 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:39:44 UTC", "accession": "NP0000120", "secondary_accessions": null, "name": "L-Cysteine", "description": "Cysteine (Cys), also known as L-cysteine is an alpha-amino acid. These are amino acids in which the amino group is attach... |
NP0000121 | Inosinic acid | O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)N1C=NC2=C1N=CNC2=O | InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | GRSZFWQUAKGDAV-KQYNXXCUSA-N | C10H13N4O8P | 2005-11-16 15:48:42 UTC | 2021-07-01 14:27:19 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-07-01 14:27:19 UTC", "accession": "NP0000121", "secondary_accessions": null, "name": "Inosinic acid", "description": "Inosinic acid, also known as inosine monophosphate, IMP, 5'-inosinate or 5'-IMP, belongs to the class of organic compo... |
NP0000122 | 17a-Hydroxypregnenolone | [H][C@@]12CC[C@](O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC=C2C[C@@H](O)CC[C@]12C | InChI=1S/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23-24H,5-12H2,1-3H3/t15-,16+,17-,18-,19-,20-,21-/m0/s1 | JERGUCIJOXJXHF-TVWVXWENSA-N | C21H32O3 | 2005-11-16 15:48:42 UTC | 2020-11-24 22:13:00 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2020-11-24 22:13:00 UTC", "accession": "NP0000122", "secondary_accessions": null, "name": "17a-Hydroxypregnenolone", "description": "17a-Hydroxypregnenolone is a 21-carbon steroid that is converted from pregnenolone by cytochrome P450 17alph... |
NP0000123 | Cyclic AMP | NC1=NC=NC2=C1N=CN2[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]2[C@H]1O | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 | IVOMOUWHDPKRLL-KQYNXXCUSA-N | C10H12N5O6P | 2005-11-16 15:48:42 UTC | 2021-10-07 20:39:01 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:39:01 UTC", "accession": "NP0000123", "secondary_accessions": null, "name": "Cyclic AMP", "description": "Cyclic AMP (cAMP) or cyclic adenosine monophosphate is an adenine nucleotide containing one phosphate group which is este... |
NP0000124 | Citrulline | N[C@@H](CCCNC(N)=O)C(O)=O | InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1 | RHGKLRLOHDJJDR-BYPYZUCNSA-N | C6H13N3O3 | 2005-11-16 15:48:42 UTC | 2022-02-17 17:51:10 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2022-02-17 17:51:10 UTC", "accession": "NP0000124", "secondary_accessions": null, "name": "Citrulline", "description": "Citrulline, also known as Cit or δ-ureidonorvaline, belongs to the class of organic compounds known as l-alpha-amino acid... |
NP0000126 | 2-Isopropylmalic acid | CC(C)[C@@](O)(CC(O)=O)C(O)=O | InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)/t7-/m0/s1 | BITYXLXUCSKTJS-ZETCQYMHSA-N | C7H12O5 | 2005-11-16 15:48:42 UTC | 2020-11-24 22:13:02 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2020-11-24 22:13:02 UTC", "accession": "NP0000126", "secondary_accessions": null, "name": "2-Isopropylmalic acid", "description": "2-Isopropylmalic acid is an alpha-hydroxy organic acid regularly occurring in urine of healthy individuals (PM... |
NP0000127 | 1-Butanol | CCCCO | InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 | LRHPLDYGYMQRHN-UHFFFAOYSA-N | C4H10O | 2006-08-13 16:50:24 UTC | 2022-01-12 18:59:14 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-08-13 16:50:24 UTC", "update_date": "2022-01-12 18:59:14 UTC", "accession": "NP0000127", "secondary_accessions": {"accession": "NP0055076"}, "name": "1-Butanol", "description": "1-Butanol, which is also known as n-butanol or 1-butanol or butyl alcohol (sometimes also called bio... |
NP0000128 | Glycerol 3-phosphate | OC[C@@H](O)COP(O)(O)=O | InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1 | AWUCVROLDVIAJX-GSVOUGTGSA-N | C3H9O6P | 2005-11-16 15:48:42 UTC | 2020-11-24 22:13:03 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2020-11-24 22:13:03 UTC", "accession": "NP0000128", "secondary_accessions": null, "name": "Glycerol 3-phosphate", "description": "Glycerol 3-phosphate is a chemical intermediate in the glycolysis metabolic pathway. It is commonly confused wi... |
NP0000129 | N-Acetylvaline | CC(C)C(NC(C)=O)C(O)=O | InChI=1S/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11) | IHYJTAOFMMMOPX-UHFFFAOYSA-N | C7H13NO3 | 2009-03-18 09:33:52 UTC | 2024-09-03 04:21:53 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2009-03-18 09:33:52 UTC", "update_date": "2024-09-03 04:21:53 UTC", "accession": "NP0000129", "secondary_accessions": null, "name": "N-Acetylvaline", "description": "N-Acetylvaline (CAS: 3067-19-4) belongs to the class of organic compounds known as valine and derivatives. Valine and... |
NP0000131 | Isobutanol | CC(C)CO | InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3 | ZXEKIIBDNHEJCQ-UHFFFAOYSA-N | C4H10O | 2007-04-12 20:13:40 UTC | 2022-04-04 18:44:35 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2007-04-12 20:13:40 UTC", "update_date": "2022-04-04 18:44:35 UTC", "accession": "NP0000131", "secondary_accessions": null, "name": "Isobutanol", "description": "Isobutanol is an aliphatic alcohol. Isobutanol is a colorless, flammable, organic compound with a characteristic smell. I... |
NP0000134 | Uridine diphosphate glucuronic acid | O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)O[C@H]([C@@H]1O)N1C=CC(=O)NC1=O | InChI=1S/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,16,18,26)/t4-,6-,7+,8+,9-,10-,11+,12-,14-/m1/s1 | HDYANYHVCAPMJV-LXQIFKJMSA-N | C15H22N2O18P2 | 2005-11-16 15:48:42 UTC | 2020-11-24 22:13:06 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2020-11-24 22:13:06 UTC", "accession": "NP0000134", "secondary_accessions": null, "name": "Uridine diphosphate glucuronic acid", "description": "Uridine diphosphate glucuronic acid is a nucleoside diphosphate sugar which serves as a source o... |
NP0000135 | Epietiocholanolone | [H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C | InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13+,14+,15+,16+,18+,19+/m1/s1 | QGXBDMJGAMFCBF-XRJZGPCZSA-N | C19H30O2 | 2005-11-16 15:48:42 UTC | 2020-11-24 22:13:07 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2020-11-24 22:13:07 UTC", "accession": "NP0000135", "secondary_accessions": null, "name": "Epietiocholanolone", "description": "Epietiocholanolone is an anabolic steroid similar in structure to androstenedione. Used by body-builders to add m... |
NP0000137 | 1,5-Anhydrosorbitol | OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O | InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1 | MPCAJMNYNOGXPB-SLPGGIOYSA-N | C6H12O5 | 2006-05-22 15:12:05 UTC | 2021-06-29 00:47:37 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 15:12:05 UTC", "update_date": "2021-06-29 00:47:37 UTC", "accession": "NP0000137", "secondary_accessions": null, "name": "1,5-Anhydrosorbitol", "description": "1, 5-Anhydrosorbitol or 1,5-anhydroglucitol (1,5-AG) is a validated marker of short-term glycemic control. This ... |
NP0000139 | Hippuric acid | OC(=O)CNC(=O)C1=CC=CC=C1 | InChI=1S/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12) | QIAFMBKCNZACKA-UHFFFAOYSA-N | C9H9NO3 | 2005-11-16 15:48:42 UTC | 2022-02-17 16:37:33 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2022-02-17 16:37:33 UTC", "accession": "NP0000139", "secondary_accessions": null, "name": "Hippuric acid", "description": "Hippuric acid is an acyl glycine formed by the conjugation of benzoic acid with glycine. Acyl glycines are produced th... |
NP0000144 | Aminoadipic acid | NC(CCCC(O)=O)C(O)=O | InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11) | OYIFNHCXNCRBQI-UHFFFAOYSA-N | C6H11NO4 | 2005-11-16 15:48:42 UTC | 2020-11-24 22:13:11 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2020-11-24 22:13:11 UTC", "accession": "NP0000144", "secondary_accessions": null, "name": "Aminoadipic acid", "description": "Aminoadipic acid (2-aminoadipate) is a metabolite in the principal biochemical pathway of lysine. It is an intermed... |
NP0000147 | 7-Dehydrocholesterol | [H][C@@]1(CC[C@@]2([H])C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3/t19-,21+,23-,24+,25+,26+,27-/m1/s1 | UCTLRSWJYQTBFZ-DDPQNLDTSA-N | C27H44O | 2005-11-16 15:48:42 UTC | 2024-09-03 04:18:00 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2024-09-03 04:18:00 UTC", "accession": "NP0000147", "secondary_accessions": null, "name": "7-Dehydrocholesterol", "description": "7-Dehydrocholesterol (7-DHC), also known as provitamin D3 or 5,7-cholestadien-3-b-ol, belongs to the class of o... |
NP0000151 | N-Methyl-D-aspartic acid | CN[C@H](CC(O)=O)C(O)=O | InChI=1S/C5H9NO4/c1-6-3(5(9)10)2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)/t3-/m1/s1 | HOKKHZGPKSLGJE-GSVOUGTGSA-N | C5H9NO4 | 2006-05-22 14:17:51 UTC | 2021-08-19 20:22:35 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2006-05-22 14:17:51 UTC", "update_date": "2021-08-19 20:22:35 UTC", "accession": "NP0000151", "secondary_accessions": null, "name": "N-Methyl-D-aspartic acid", "description": "N-Methyl-D-aspartic acid is an amino acid derivative acting as a specific agonist at the NMDA receptor, and... |
NP0000152 | Citric acid | OC(=O)CC(O)(CC(O)=O)C(O)=O | InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) | KRKNYBCHXYNGOX-UHFFFAOYSA-N | C6H8O7 | 2005-11-16 15:48:42 UTC | 2022-01-19 19:43:20 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2022-01-19 19:43:20 UTC", "accession": "NP0000152", "secondary_accessions": null, "name": "Citric acid", "description": "Citric acid (citrate) is a tricarboxylic acid, an organic acid with three carboxylate groups. Citrate is an intermediat... |
NP0000153 | Valeric acid | CCCCC(O)=O | InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7) | NQPDZGIKBAWPEJ-UHFFFAOYSA-N | C5H10O2 | 2005-11-16 15:48:42 UTC | 2021-10-07 20:40:02 UTC | metadata_NP0000001_NP0050000.zip | {"version": "1.0", "creation_date": "2005-11-16 15:48:42 UTC", "update_date": "2021-10-07 20:40:02 UTC", "accession": "NP0000153", "secondary_accessions": null, "name": "Valeric acid", "description": "Valeric acid, or pentanoic acid, is a straight chain alkyl carboxylic acid with the chemical formula CH3(CH2)3COOH. Lik... |
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