DrugBank ID stringlengths 7 7 | Accession Numbers stringlengths 7 102 ⌀ | Common name stringlengths 3 226 | CAS stringlengths 7 12 ⌀ | UNII stringlengths 10 10 ⌀ | Synonyms stringlengths 2 1.48k ⌀ | Standard InChI Key stringlengths 27 27 ⌀ |
|---|---|---|---|---|---|---|
DB02757 | EXPT02727 | Pyrazole | 288-13-1 | 3QD5KJZ7ZJ | 1,2-Diazole | 1H-Pyrazol | 1H-pyrazole | WTKZEGDFNFYCGP-UHFFFAOYSA-N |
DB02758 | EXPT01908 | Indolepropionic acid | 830-96-6 | JF49U1Q7KN | 1H-Indole-3-propionic acid | 3-(3-Indole)propionic acid | 3-(3-Indolyl)propanoic acid | 3-(3-Indolyl)propionic acid | 3-(Indol-3-yl)propionic acid | 3-indolepropionic acid | beta-Indolylpropionate | Indole-3-propionic acid | Indolylpropionic acid | GOLXRNDWAUTYKT-UHFFFAOYSA-N |
DB02759 | EXPT01671 | 4-methyl-umbelliferyl-N-acetyl-chitobiose | 53643-12-2 | SYW68VG2T6 | 4-methylumbelliferyl-N,N-diacetylchitobioside | 4-Mudacb | UPSFMJHZUCSEHU-JYGUBCOQSA-N |
DB02760 | EXPT01379 | 1,6-Di-O-Phosphono-D-Allitol | null | null | null | WOYYTQHMNDWRCW-FBXFSONDSA-N |
DB02761 | EXPT01038 | S-Mercaptocysteine | 5652-32-4 | 3RZ74WA9J2 | null | XBKONSCREBSMCS-REOHCLBHSA-N |
DB02762 | EXPT00300 | RU79072 | null | null | null | NQLPTOOPFMPCHQ-UHFFFAOYSA-N |
DB02763 | EXPT02201 | 5-Mercapto-2-Nitro-Benzoic Acid | 15139-21-6 | OWT399B07G | null | GANZODCWZFAEGN-UHFFFAOYSA-N |
DB02765 | EXPT00559 | R-9-(2-hydroxypropyl)adenine | 14047-28-0 | 43H6SBP55W | 9-Hydroxypropyladenine, R-Isomer | MJZYTEBKXLVLMY-RXMQYKEDSA-N |
DB02766 | EXPT03288 | (3R)-3-{[(Benzyloxy)carbonyl]amino}-2-oxo-4-phenylbutane-1-diazonium | null | null | null | VLIGBVLLNSWVMI-MRXNPFEDSA-O |
DB02767 | EXPT01506 | (R)-3-hydroxytetradecanoic acid | 28715-21-1 | R7C245Y68X | (−)-3-hydroxymyristic acid | (3R)-hydroxymyristic acid | (R)-(-)-3-Hydroxytetradecanoic acid | (R)-(−)-3-hydroxytetradecanoic acid | (R)-3-Hydroxymyristic acid | (R)-3-Hydroxytetradecanoic acid | D-(-)-beta-Hydroxymyristic acid | D-(−)-β-hydroxymyristic acid | β-hydroxymyristic acid | β-hydroxytetradecanoic acid | ATRNZOYKSNPPBF-CYBMUJFWSA-N |
DB02768 | EXPT00736 | Tert-Butyloxycarbonyl Group | null | J5BC8DA85J | null | RUPAXCPQAAOIPB-UHFFFAOYSA-N |
DB02770 | EXPT00315 | 7-alpha-D-Ribofuranosyl-2-aminopurine-5'-phosphate | null | null | null | UDRQVOJQMHZSIM-PULFBKJNSA-N |
DB02772 | EXPT02977 | Sucrose | 57-50-1 | C151H8M554 | 1-alpha-D-Glucopyranosyl-2-beta-D-fructofuranoside | Beet sugar | Cane sugar | Sacarosa | Saccharose | Sacharose | Sucraloxum | Sucrose | Table sugar | White sugar | CZMRCDWAGMRECN-UGDNZRGBSA-N |
DB02773 | EXPT00156 | (3-Chloro-4-Propoxy-Phenyl)-Acetic Acid | null | null | null | QEJHPAGTOOIBFT-UHFFFAOYSA-N |
DB02774 | EXPT02534 | 1,3-Propanediol | 504-63-2 | 5965N8W85T | 1,3-Dihydroxypropane | 1,3-propylene glycol | 2-(hydroxymethyl)ethanol | beta-Propylene glycol | Propane-1,3-diol | Trimethylene glycol | β-propylene glycol | YPFDHNVEDLHUCE-UHFFFAOYSA-N |
DB02776 | EXPT01716 | 1-Hexadecanosulfonic Acid | 15015-81-3 | 84694Z0M9P | null | SSILHZFTFWOUJR-UHFFFAOYSA-N |
DB02777 | EXPT02605 | Diundecyl Phosphatidyl Choline | null | null | null | IJFVSSZAOYLHEE-SSEXGKCCSA-O |
DB02778 | EXPT00466 | 2,5-Anhydroglucitol-1,6-Biphosphate | null | null | null | WSMBXSQDFPTODV-JGWLITMVSA-N |
DB02779 | EXPT00833 | Dodecyltrimethylammonium | 10182-91-9 | GT3793XV5S | Dodecane-trimethylamine | Dodecyl-trimethyl-azanium | Dodecyltrimethylammonium ion | laurtrimonium | laurtrimonium cation | laurtrimonium ion | n-Dodecyltrimethylammonium | N,N,N-Trimethyl-1-dodecanaminium | VICYBMUVWHJEFT-UHFFFAOYSA-N |
DB02780 | EXPT00644 | Beta-3-Cysteine | null | null | null | UGPZHAXXEJECMI-GSVOUGTGSA-N |
DB02781 | EXPT01022 | 4-{(Z)-[2-[3-(Methylsulfanyl)Propanoyl]-5-Oxo-1-(2-Oxoethyl)-1,5-Dihydro-4h-Imidazol-4-Ylidene]Methyl}Benzenolate | null | null | null | POPNGBKQPJVYFV-JLHYYAGUSA-M |
DB02783 | EXPT01857 | 4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate | null | TJZ8V4IIP7 | null | QYKRUCBLHROXCK-UHFFFAOYSA-N |
DB02784 | EXPT01429 | N-(Bromoacetyl)-beta-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide | null | null | 2-[4-[2-[[(2S)-2-[3-[(2-bromoacetyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]ethyl]anilino]-2-oxoacetic acid | N-(Bromoacetyl)-β-alanyl-N-(2-{4-[(carboxycarbonyl)amino]phenyl}ethyl)-L-serinamide | IYAWTDCWUJJPHZ-ZDUSSCGKSA-N |
DB02785 | EXPT00175 | (2S)-1-[(2S,4R)-4-Benzyl-2-hydroxy-5-{[(1S,2R,5S)-2-hydroxy-5-methylcyclopentyl]amino}-5-oxopentyl]-4-{[6-chloro-5-(4-methyl-1-piperazinyl)-2-pyrazinyl]carbonyl}-N-(2-methyl-2-propanyl)-2-piperazineca rboxamide | null | null | null | SQZXWXXIPWXBCL-CYTJBAGBSA-N |
DB02786 | EXPT01387 | 2-Anhydro-3-Fluoro-Quinic Acid | null | null | null | DGZQZSSRYAJDAX-XAHCXIQSSA-N |
DB02787 | EXPT02197 | N-Acetylmannosaminitol | null | null | null | OUBSZQOZVSSBQR-SLBCVNJHSA-N |
DB02788 | EXPT01702 | (S)-acetoin | null | null | (S)-2-acetoin | ROWKJAVDOGWPAT-VKHMYHEASA-N |
DB02789 | EXPT02608 | Pregnenolone | 145-13-1 | 73R90F7MQ8 | Pregnenolone | ORNBQBCIOKFOEO-QGVNFLHTSA-N |
DB02790 | EXPT03199 | Phenyl-uridine-5'-diphosphate | null | null | null | ZHUWBKDWWGKIEN-FMKGYKFTSA-N |
DB02792 | EXPT01122 | Deglucobalhimycin | null | null | null | ABWSMPORYONAHZ-LTAUCOGHSA-N |
DB02793 | EXPT01933 | Isochorismic Acid | 22642-82-6 | null | null | NTGWPRCCOQCMGE-YUMQZZPRSA-L |
DB02794 | EXPT00025 | (2S)-2-({4-[(2S)-1-(2-Amino-4-oxo-1,4-dihydro-6-quinazolinyl)-3-{[2-({(2R,3R,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]tetrahydro-2-furanyl}amino)-2-oxoethyl]amino}-2-hydroxy-2-propanyl]benzoyl}ami no)pentanedioic acid | null | null | null | QZUCAWXKEZPFBV-PRICPSHJSA-N |
DB02795 | EXPT00523 | P-Anisic Acid | 100-09-4 | 4SB6Y7DMM3 | null | ZEYHEAKUIGZSGI-UHFFFAOYSA-N |
DB02796 | EXPT00357 | 9-deazainosine | 89458-19-5 | null | null | WKDMPDYUJKSXBW-KBHCAIDQSA-N |
DB02797 | EXPT02380 | 3-Nitrophenylboronic Acid | 13331-27-6 | JLC765W4PN | null | ZNRGSYUVFVNSAW-UHFFFAOYSA-N |
DB02798 | EXPT00399 | Alpha-Methylene Adenosine Monophosphate | null | null | null | PXSSQXBLDTZHLF-IOSLPCCCSA-N |
DB02799 | EXPT02140 | N-[2-(1-maleimidyl)ethyl]-7-diethylaminocoumarin-3-carboxamide | null | null | null | OJBZDUMTXGGVSP-KTKRTIGZSA-N |
DB02800 | EXPT03049 | 5-hydroxymethyl-5,6-dihydrofolic acid | null | null | null | IIEPLRAFVCMHQF-STQMWFEESA-N |
DB02801 | EXPT01385 | 2,3-Anhydro-quinic acid | 227002-11-1 | null | null | VTEDVYGIJPLVFF-XAHCXIQSSA-N |
DB02802 | EXPT01462 | 3-(alpha-D-Galactopyranosyloxy)-5-nitrobenzamide | null | null | 3-(α-D-Galactopyranosyloxy)-5-nitrobenzamide | 5-aminocarbonyl-3-nitrophenyl-alpha-D-galactopyranose | BYSXBFJVGIOFBO-LNSPPBFMSA-N |
DB02803 | EXPT02644 | 3-Phenyl-1,2-Propandiol | null | 6PQ7U3G5W6 | null | JHWQMXKQJVAWKI-VIFPVBQESA-N |
DB02804 | EXPT00377 | A-98881 | null | null | null | PMBZSBGCSQGJAQ-GRKNLSHJSA-N |
DB02805 | EXPT03163 | Arabinouridine 3'-phosphate | null | null | 1-(3-O-phosphono-beta-L-arabinofuranosyl)Pyrimidine-2,4(1H,3H)-Dione | Arabinouridine 3'-Phosphate | Uracil arabinose-3'-phosphate | FOGRQMPFHUHIGU-PXBUCIJWSA-N |
DB02806 | EXPT02260 | 2-Methoxyethanol | 109-86-4 | EK1L6XWI56 | null | XNWFRZJHXBZDAG-UHFFFAOYSA-N |
DB02807 | EXPT02819 | 3-deoxy-D-lyxo-hexonic acid | null | null | D-2-keto-3-deoxygalactonate | YGMNHEPVTNXLLS-MROZADKFSA-N |
DB02808 | EXPT01427 | Trifluorofurnesyl Diphosphate | null | null | null | PXLMLAFPAPGGKK-GVCYOOEQSA-N |
DB02809 | EXPT00651 | Brodimoprim-4,6-Dicarboxylate | null | null | null | SZAVCZNFKJSWRN-LBPRGKRZSA-M |
DB02810 | EXPT02170 | N-(2-Acetamido)Iminodiacetic Acid | 26239-55-4 | 5C4R3O704E | null | QZTKDVCDBIDYMD-UHFFFAOYSA-N |
DB02811 | EXPT01161 | Diethyl phosphonate | 762-04-9 | U9X9YBA22W | Diethyl acid phosphite | Diethyl hydrogen phosphite | Diethyl phosphite | Hydrogen diethyl phosphite | O,O-Diethyl phosphonate | Phosphonic acid diethyl ester | Phosphorous acid, diethyl ester | MJUJXFBTEFXVKU-UHFFFAOYSA-N |
DB02812 | EXPT00391 | RWJ-56423 | null | null | (2S,4R)-1-acetyl-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-4-hydroxypyrrolidine-2-carboxamide | VXDAVYUFYPFGDX-SNPRPXQTSA-N |
DB02813 | EXPT01570 | 2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone | 19026-22-3 | 09ICI1V6AX | null | NELQYZRSPDCGRQ-DBRKOABJSA-N |
DB02814 | EXPT02276 | 3'-Deazo-Thiamin Diphosphate | null | null | null | NWZZJKMZTWGIFE-UHFFFAOYSA-N |
DB02816 | EXPT01416 | 7-(1-Methyl-1,2,3-Triazol-4-Yl)-6-Formyl-2,7-Dihydro-[1,4]Thiazepine-3-Carboxylic Acid, Brl42715, C6-(N1-Methyl-1,2,3-Triazolylmethylene)Penem | null | null | null | BCPHJDLBOJMWOD-VIFPVBQESA-N |
DB02817 | EXPT00826 | 5-Exo-Hydroxycamphor | null | null | null | DJQYBVLXBVJHMU-PJKMHFRUSA-N |
DB02818 | EXPT01948 | Iodo-Willardiine | null | null | null | AXXYLTBQIQBTES-BYPYZUCNSA-N |
DB02819 | EXPT02793 | Mono-[3,4-Dihydroxy-5-(5-Methyl-Benzoimidazol-1-Yl)-Tetrahydor-Furan-2-Ylmethyl] Ester | null | null | null | HGUDFQQPANTQEU-LPWJVIDDSA-N |
DB02820 | EXPT03033 | 1-Azepan-1-Yl-2-Phenyl-2-(4-Thioxo-1,4-Dihydro-Pyrazolo[3,4-D]Pyrimidin-5-Yl)Ethanone Adduct | null | null | null | null |
DB02821 | EXPT00828 | Canaline | 496-93-5 | T7H2XP1ZNS | null | FQPGMQABJNQLLF-VKHMYHEASA-N |
DB02822 | EXPT00748 | Para-Bromobenzyl Alcohol | 873-75-6 | null | null | VEDDBHYQWFOITD-UHFFFAOYSA-N |
DB02823 | EXPT02488 | Phosphonoacetic Acid | 4408-78-0 | N919E46723 | null | XUYJLQHKOGNDPB-UHFFFAOYSA-N |
DB02824 | EXPT02606 | N-Pyridoxyl-Glycine-5-Monophosphate | null | null | null | FEVQWBMNLWUBTF-UHFFFAOYSA-N |
DB02825 | EXPT03237 | Methylphosphinate | null | null | null | BCDIWLCKOCHCIH-UHFFFAOYSA-M |
DB02827 | EXPT01119 | 7-(1,1-Dioxo-1h-Benzo[D]Isothiazol-3-Yloxymethyl)-2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid | null | null | null | MDYIGSPVMWSFEZ-JTQLQIEISA-N |
DB02828 | EXPT01997 | 5-Fluorolevulinic Acid | 76385-49-4 | U7AG97N7XY | null | MBVLGMJBSFUHKW-UHFFFAOYSA-N |
DB02829 | EXPT02963 | 4-(Acetylamino)-3-[(Aminoacetyl)Amino]Benzoic Acid | null | null | null | FJGXEWVOOHZQDN-UHFFFAOYSA-O |
DB02830 | EXPT01487 | FR236913 | null | null | null | KCCUBLLGAMGDJL-HXUWFJFHSA-N |
DB02831 | EXPT00124 | Dihydrogenphosphate | 29505-79-1 | null | Dihydrogenphosphate ion | NBIIXXVUZAFLBC-UHFFFAOYSA-M |
DB02832 | EXPT02954 | Siroheme | 52553-42-1 | null | null | PGYXHNRRBJLFEV-NBUGCWMUSA-N |
DB02833 | EXPT00930 | [4-(2-Amino-4-Methyl-Thiazol-5-Yl)-Pyrimidin-2-Yl]-(3-Nitro-Phenyl)-Amine | null | 2L9NBR9W3T | null | DYTKVFHLKPDNRW-UHFFFAOYSA-N |
DB02834 | EXPT01836 | IDD552 | null | null | null | ZCAGEXZTORJQDZ-UHFFFAOYSA-N |
DB02835 | EXPT01519 | Alpha-D-Glucose 1,6-Bisphosphate | 10139-18-1 | DRX17R6AM2 | null | RWHOZGRAXYWRNX-VFUOTHLCSA-N |
DB02836 | EXPT01643 | Guanosine 5'-diphosphate 2':3'-cyclic monophosphate | null | null | null | NGYWTCOGOZELRS-UUOKFMHZSA-N |
DB02837 | EXPT01646 | DB03377 | 4-(Hydrogen sulfate)-beta-D-galactopyranose | 30591-62-9 | 5G2WS8D321 | 4-(Hydrogen sulfate)-beta-D-galactopyranose | 4-O-Sulfo-β-D-galactopyranose | LOTQRUGOUKUSEY-DGPNFKTASA-N |
DB02838 | EXPT00141 | 3,4-Dihydro-2h-Pyrrolium-5-Carboxylate | null | 497H5RPL8F | null | RHTAIKJZSXNELN-UHFFFAOYSA-N |
DB02839 | EXPT01241 | 2,4-Dihydroxybenzoic Acid | 89-86-1 | LU39SC9JYL | null | UIAFKZKHHVMJGS-UHFFFAOYSA-N |
DB02840 | EXPT00204 | 4-(1,3-Benzodioxol-5-Yl)-5-(5-Ethyl-2,4-Dihydroxyphenyl)-2h-Pyrazole-3-Carboxylic Acid | null | null | null | LCTWZJKHOGKNMX-UHFFFAOYSA-N |
DB02841 | EXPT02299 | [(2-Ethoxy-1-Naphthoyl)Amino]Methylboronic Acid | null | null | null | VGXJNGVFESCMME-UHFFFAOYSA-N |
DB02842 | EXPT00308 | 9-amino-n-[3-(dimethylamino)propyl]acridine-4-carboxamide | null | 0LY4HYL6F8 | 9-amino-N-(3-dimethylaminopropyl)acridine-4-carboxamide | VNWAULKXOPRJEL-UHFFFAOYSA-N |
DB02843 | EXPT01520 | alpha-D-glucose-1-phosphate | 59-56-3 | CIX3U01VAU | glucose-1-phosphate | HXXFSFRBOHSIMQ-VFUOTHLCSA-N |
DB02844 | EXPT00386 | S-Adenosyl-1,8-Diamino-3-Thiooctane | 76426-40-9 | null | null | SUUGLGYBZXSJAA-SCFUHWHPSA-N |
DB02845 | EXPT02226 | DB04390 | Methylphosphinic Acid | 4206-94-4 | null | null | BCDIWLCKOCHCIH-UHFFFAOYSA-N |
DB02846 | EXPT02664 | L-thioproline | 2756-91-4 | KL096K0KXL | (4R)-4-Thiazolidinecarboxylic acid | (R)-(-)-4-Thiazolidinecarboxylic acid | (R)-4-Thiazolidinecarboxylic acid | 4-thiaproline | L-thiaproline | L-Thiazolidine-4-carboxylic acid | Thiazolidinecarboxylic acid | γ-thioproline | DZLNHFMRPBPULJ-VKHMYHEASA-N |
DB02847 | EXPT03122 | (2s,3r)-1-Amino-2-Methylbutane-2,3-Diol | null | null | null | CNLUNMTZBAHKFI-UHNVWZDZSA-N |
DB02848 | EXPT02557 | {4-[3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl]-Thiazol-2-Yl}-Methanol | null | null | null | ZJESXGUODSBHSK-UHFFFAOYSA-N |
DB02849 | EXPT00257 | N-Pyridoxyl-1-Amino-Cyclopropanecarboxylic Acid-5-Monophosphate | null | null | null | ZMHRUAWWUAOOQN-UHFFFAOYSA-N |
DB02850 | EXPT00327 | DAS869 | null | null | null | AVFXBZIGDFPGBY-UHFFFAOYSA-N |
DB02851 | EXPT03025 | Thiocamphor | 7519-74-6 | 7WA22E7HFY | null | AAADKYXUTOBAGS-XCBNKYQSSA-N |
DB02852 | EXPT01248 | Domoic Acid | 14277-97-5 | M02525818H | (-)-domoic acid | L-domoic acid | VZFRNCSOCOPNDB-AOKDLOFSSA-N |
DB02853 | EXPT01259 | D-Proline | 344-25-2 | L01Q4LGZ5L | (2R)-pyrrolidine-2-carboxylic acid | (R)-2-Carboxypyrrolidine | (R)-pyrrolidine-2-carboxylic acid | D-Prolin | DPR | ONIBWKKTOPOVIA-SCSAIBSYSA-N |
DB02854 | EXPT00443 | Aetiocholanolone | 53-42-9 | 97CGB1M48I | null | QGXBDMJGAMFCBF-BNSUEQOYSA-N |
DB02855 | EXPT00003 | N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline | 134448-10-5 | null | N-(3-Propylcarbamoyloxirane-2-carbonyl)-isoleucyl-proline | UDNIFTKCMDIXFC-ABHRYQDASA-N |
DB02856 | EXPT01337 | Ethyl N-methylcarbamate | 105-40-8 | 1W34GCF5CS | Ethyl methylcarbamate | Ethyl N-methylcarbamate | Ethyl-N-methylcarbamate | N-Methyl urethan | N-Methylurethan | N-Methylurethane | SURZCVYFPAXNGN-UHFFFAOYSA-N |
DB02857 | EXPT01622 | Guanosine | 118-00-3 | 12133JR80S | 2-amino-1,9-dihydro-9-β-D-ribofuranosyl-6H-purin-6-one | 2(3H)-imino-9-β-D-ribofuranosyl-9H-purin-6(1H)-one | 9-β-D-ribofuranosyl-guanine | Guanine riboside | Guanine-9-β-D-ribofuranoside | Guanosin | Guanosina | Guo | NYHBQMYGNKIUIF-UUOKFMHZSA-N |
DB02858 | EXPT01371 | 3-(4-Benzenesulfonyl-Thiophene-2-Sulfonylamino)-Phenylboronic Acid | null | null | null | YZOKHYPIQNIFRQ-UHFFFAOYSA-N |
DB02859 | EXPT02829 | Soraphen A | 122547-72-2 | null | null | WPMGNXPRKGXGBO-OFQQMTDKSA-N |
DB02860 | EXPT01080 | Calyculin A | 101932-71-2 | 7D07U14TK3 | (-)-calyculin A | FKAWLXNLHHIHLA-YCBIHMBMSA-N |
DB02861 | EXPT01904 | 4-(Aminosulfonyl)-N-[(3,4,5-Trifluorophenyl)Methyl]-Benzamide | null | null | null | DEHMSTGBNAXEGX-UHFFFAOYSA-N |
DB02862 | EXPT01838 | Gluco-Phenylimidazole | null | null | null | DLVNFMROYKHANV-FVCCEPFGSA-N |
DB02864 | EXPT00720 | Biliverdin Ix Gamma Chromophore | null | null | null | ISQGGWQAVOHBFX-BGSBWKAWSA-N |
DB02865 | EXPT01634 | Glucosamine 4-Phosphate | null | null | null | QWDBGVNDGYUIAC-QZABAPFNSA-N |
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