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 ⌀ |
|---|---|---|---|---|---|---|
DB03079 | EXPT00084 | Alpha-Ribazole-5'-Phosphate Derivative | null | null | null | YPYFPLLZCVEYCS-KKOKHZNYSA-N |
DB03081 | EXPT00864 | [N-[N-(4-Methoxy-2,3,6-trimethylphenylsulfonyl)-L-aspartyl]-D-(4-amidino-phenylalanyl)]-piperidine | 146663-95-8 | null | null | ZOXOKTJHZSUHRJ-XZOQPEGZSA-N |
DB03082 | EXPT03178 | 6-[(Z)-Amino(Imino)Methyl]-N-[4-(Aminomethyl)Phenyl]-4-(Pyrimidin-2-Ylamino)-2-Naphthamide | null | null | null | CSWQJKHBMACTGB-UHFFFAOYSA-N |
DB03083 | EXPT01830 | IC261 | null | null | null | JBJYTZXCZDNOJW-JLHYYAGUSA-N |
DB03084 | EXPT00348 | Cyclopropyl-{4-[5-(3,4-Dichlorophenyl)-2-[(1-Methyl)-Piperidin]-4-Yl-3-Propyl-3h-Imidazol-4-Yl]-Pyrimidin-2-Yl}Amine | null | null | null | XCTKFTOEAKJMII-UHFFFAOYSA-N |
DB03085 | EXPT01629 | DB11307 | Glycolic acid | 79-14-1 | 0WT12SX38S | 2-Hydroxyacetic acid | 2-Hydroxyethanoic acid | alpha-Hydroxyacetic acid | Glycollic acid | Hydroxyacetic acid | Hydroxyethanoic acid | α-hydroxyacetic acid | AEMRFAOFKBGASW-UHFFFAOYSA-N |
DB03086 | EXPT00527 | N'-(2s,3r)-3-Amino-4-Cyclohexyl-2-Hydroxy-Butano-N-(4-Methylphenyl)Hydrazide | null | null | null | IQMLIGOOOFEBAH-CVEARBPZSA-N |
DB03087 | EXPT03152 | 2-(Sec-Butyl)Thiazole | null | null | null | MHJSWOZJMPIGJQ-ZCFIWIBFSA-N |
DB03088 | EXPT00247 | Pidolic acid | 98-79-3 | SZB83O1W42 | (−)-2-pyrrolidone-5-carboxylic acid | (S)-(−)-2-pyrrolidone-5-carboxylic acid | (S)-pyroglutamic acid | 5-L-oxoproline | 5-oxo-2-pyrrolidinecarboxylic acid | 5-oxo-L-proline | 5-Pyrrolidone-2-carboxylic acid | Glutimic acid | L-5-Pyrrolidone-2-carboxylic acid | L-pyroglutamic acid | L-pyrrolidone carboxylic acid | PCA ... | ODHCTXKNWHHXJC-VKHMYHEASA-N |
DB03090 | EXPT02676 | Ethylaminobenzylmethylcarbonyl Group | null | null | null | XGTNRXVUBSVMCM-CABCVRRESA-N |
DB03091 | EXPT01619 | Isoglutamine | 636-65-7 | WL74QNU57B | Glutamic acid alpha-amide | L-alpha-Glutamine | L-Glutamic acid alpha-amide | L-Isoglutamine | AEFLONBTGZFSGQ-VKHMYHEASA-N |
DB03092 | EXPT01756 | 5-Hydroxymethyl-Chonduritol | null | J5344DZ89S | null | PJPGMULJEYSZBS-VZFHVOOUSA-N |
DB03093 | EXPT02693 | 8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9h-Purin-6-Ylamine | null | null | null | MWHAHELTVGJGFJ-UHFFFAOYSA-N |
DB03094 | EXPT00055 | 3,5-Dihydro-5-Methylidene-4h-Imidazol-4-On | null | null | null | MOTCYKZNVUEYFO-VPLCAKHXSA-N |
DB03095 | EXPT03069 | Tetramethylammonium | 51-92-3 | H0W55235FC | Trimethylaminomethane | QEMXHQIAXOOASZ-UHFFFAOYSA-N |
DB03096 | EXPT01341 | 2-Morpholinoethylamine | 2038-03-1 | T92F2H779P | 2-Morpholinoethanamine | 4-Morpholineethanamine | beta-Aminoaethyl-morpholin | N-2-Aminoethylmorpholine | N-Aminoethylmorpholine | RWIVICVCHVMHMU-UHFFFAOYSA-N |
DB03097 | EXPT02617 | PMP-hydroxyisoxazole, pyridoxamine-5-phosphate-hydroxyisoxazole | null | null | null | PXWFNGNWQUPGPJ-UHFFFAOYSA-N |
DB03098 | EXPT02237 | [Methylseleno]Acetate | null | null | null | UOULLTHLSZQUIN-UHFFFAOYSA-M |
DB03099 | EXPT03191 | 5-Amino 6-Nitro Uracil | null | null | null | CLOSWQFGCBFNCK-UHFFFAOYSA-N |
DB03100 | EXPT00288 | 6-Nitroindazole | null | null | null | ORZRMRUXSPNQQL-UHFFFAOYSA-N |
DB03101 | EXPT02743 | Ribose-1-Phosphate | null | null | null | YXJDFQJKERBOBM-TXICZTDVSA-N |
DB03102 | EXPT02439 | 2-(Oxalyl-Amino)-4,7-Dihydro-5h-Thieno[2,3-C]Pyran-3-Carboxylic Acid | null | null | null | SNNOZMNTPOIDSI-UHFFFAOYSA-N |
DB03103 | EXPT03136 | Thymidine-5'- Diphosphate | null | QQ3K1P45DF | null | UJLXYODCHAELLY-XLPZGREQSA-N |
DB03104 | EXPT00321 | 2-[4-[(Z)-2-Acetamido-3-oxo-3-[[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]amino]prop-1-enyl]-2-formylphenyl]acetic acid | null | null | null | NKMPOVPTYDXGEC-MNRBYUMSSA-N |
DB03105 | EXPT01193 | L-Pentahomoserine | 6152-89-2 | 4U1FH45CS8 | (S)-5-Hydroxynorvaline | 5-Hydroxy-2-aminovaleric acid | L-5-Hydroxynorvaline | L-alpha-Amino-delta-hydroxyvaleric acid | CZWARROQQFCFJB-BYPYZUCNSA-N |
DB03106 | EXPT01892 | DB05987 | DB11931 | scyllo-inositol | 488-59-5 | 1VS4X81277 | 1,3,5/2,4,6-cyclohexanehexol | Cocositol | Quercinitol | Scyllitol | CDAISMWEOUEBRE-CDRYSYESSA-N |
DB03107 | EXPT00624 | beta-Alanine | 107-95-9 | 11P2JDE17B | 3-aminopropanoic acid | 3-aminopropionic acid | beta-Alanine | β-alanine | β-aminopropionic acid | ω-aminopropionic acid | UCMIRNVEIXFBKS-UHFFFAOYSA-N |
DB03108 | EXPT01166 | 4-phospho-D-erythronic acid | null | null | 4-Phospho-D-Erythronate | 4-Phosphoerythronate | ZCZXOHUILRHRQJ-PWNYCUMCSA-N |
DB03109 | EXPT02281 | 2-acetylamino-2-deoxy-b-D-allopyranose | null | null | N-acetyl-D-allosamine | OVRNDRQMDRJTHS-UIAUGNHASA-N |
DB03110 | EXPT00108 | 2-Chlorophenol | 95-57-8 | K9KAV4K6BN | 2-chloro-1-hydroxybenzene | o-chlorophenol | ISPYQTSUDJAMAB-UHFFFAOYSA-N |
DB03111 | EXPT01631 | Glucosamine 1-Phosphate | null | BSG3MU7VAE | null | YMJBYRVFGYXULK-QZABAPFNSA-N |
DB03112 | EXPT02904 | 6-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Hexanoic Acid | null | null | null | CUIOUBJXOZHWNJ-NRPADANISA-N |
DB03113 | EXPT01475 | 3-Fluoro-2-(Phosphonooxy)Propanoic Acid | null | null | null | BNOCDEBUFVJMQI-REOHCLBHSA-N |
DB03114 | EXPT00088 | PAS219 | null | null | null | YBEVTZVQKMYQPM-UHFFFAOYSA-N |
DB03115 | EXPT00634 | 5-Bromo-N-[(2S)-2,3-dihydroxypropoxy]-3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]benzamide | null | null | null | XXSSGBYXSKOLAM-QMMMGPOBSA-N |
DB03116 | EXPT02914 | 5-(1-Carboxy-1-Phosphonooxy-Ethoxyl)-Shikimate-3-Phosphate | null | null | null | QUQKBSPZUVNKIF-JQCUSGDOSA-N |
DB03117 | EXPT00110 | 2-carboxypropyl-coenzyme A | null | null | null | YLEVKEKTOJAHCY-UQCJFRAESA-N |
DB03118 | EXPT00006 | (2Z)-1-(5-Chloro-1H-indol-3-yl)-3-hydroxy-3-(1H-tetrazol-5-yl)-2-propen-1-one | null | null | 1-(5-Chloroindol-3-YL)-3-hydroxy-3-(2H-tetrazol-5-YL)-propenone | LKVXXMOMTRBUQI-WCIBSUBMSA-N |
DB03120 | EXPT03125 | p-Toluenesulfonic acid | 104-15-4 | QGV5ZG5741 | 4-toluenesulfonic acid | p-methylbenzenesulfonic acid | p-methylphenylsulfonic acid | p-toluenesulfonic acid | p-toluenesulphonic acid | p-tolylsulfonic acid | para-toluene sulfonate | toluene-4-sulfonic acid | Tosic acid | Tosylic acid | JOXIMZWYDAKGHI-UHFFFAOYSA-N |
DB03121 | EXPT01810 | (1-Benzyl-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid | 59283-35-1 | 5JSR5TT2JJ | null | ZEKCBTQHDTUHRJ-UHFFFAOYSA-N |
DB03124 | EXPT00045 | 5-[4-(1-Carboxymethyl-2-Oxo-Propylcarbamoyl)-Benzylsulfamoyl]-2-Hydroxy-Benzoic Acid | null | null | null | LBAHOXPDTNUYCX-INIZCTEOSA-N |
DB03125 | EXPT03114 | 2,4-Diamino-5-(3,4,5-Trimethoxy-Benzyl)-Pyrimidin-1-Ium | null | null | null | IEDVJHCEMCRBQM-UHFFFAOYSA-O |
DB03126 | EXPT02204 | Mant-Adp | null | null | null | QPKUEBLEGWBRHC-BFHYXJOUSA-N |
DB03127 | EXPT00669 | Benzamidine | 618-39-3 | KUE3ZY3J1F | null | PXXJHWLDUBFPOL-UHFFFAOYSA-O |
DB03128 | EXPT00412 | Acetylcholine | 51-84-3 | N9YNS0M02X | Acetylcholine | ACh | Choline acetate | O-Acetylcholine | OIPILFWXSMYKGL-UHFFFAOYSA-N |
DB03129 | EXPT02858 | Diamino-N-[3-(1,3,2-dioxaborolan-2-yloxy)propyl]methaniminium | null | null | [3-(1,3,2-dioxaborolan-2-yloxy)propyl]guanidine | QHANCKHXGBJANE-UHFFFAOYSA-O |
DB03130 | EXPT01625 | S-P-Nitrobenzyloxycarbonylglutathione | null | null | null | QYFGPQQSJQOGEO-TVJRNMROSA-N |
DB03132 | EXPT00770 | 3-(2-Benzothiazolylthio)-1-Propanesulfonic Acid | null | Q071BHM3ZE | null | XBNHRNFODJOFRU-UHFFFAOYSA-N |
DB03133 | EXPT01871 | 2-(Beta-D-Glucopyranosyl)-5-Methyl-1,2,3-Benzimidazole | null | null | null | XIJZORUYQZBFJK-UJPOAAIJSA-N |
DB03134 | EXPT02383 | L-2-aminopimelic acid | 26630-55-7 | 0603E10Z5S | (2S)-2-Aminoheptanedioic acid | (S)-2-aminoheptanedioic acid | 2-Aminopimelic acid | L-alpha-Aminopimelic acid | L-α-aminopimelic acid | JUQLUIFNNFIIKC-YFKPBYRVSA-N |
DB03135 | EXPT00020 | [2(Formyl-Hydroxy-Amino)-Ethyl]-Phosphonic Acid | null | 8Y97C7OS7S | null | NBAIGNUEKZLOMI-UHFFFAOYSA-N |
DB03136 | EXPT01360 | 4-Iodobenzo[B]Thiophene-2-Carboxamidine | null | null | null | YERQOXAYAFWFEJ-UHFFFAOYSA-O |
DB03137 | EXPT02704 | 8-(2,5-Dimethoxy-Benzyl)-2-Fluoro-9-Pent-9h-Purin-6-Ylamine | null | null | null | RMOYVWKKOKERSW-UHFFFAOYSA-N |
DB03138 | EXPT02010 | Perchlorate | 14797-73-0 | VLA4NZX2P4 | Perchlorate Ion | VLTRZXGMWDSKGL-UHFFFAOYSA-M |
DB03139 | EXPT00692 | 6-[5-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Pentanoylamino]-Hexanoic Acid | null | null | null | CMUGHZFPFWNUQT-HUBLWGQQSA-N |
DB03140 | EXPT00208 | 4-Carboxyphenylboronic Acid | null | XQQ1T11DYK | null | SIAVMDKGVRXFAX-UHFFFAOYSA-N |
DB03141 | EXPT00690 | 3-{[(5R,6R)-5-Benzyl-6-hydroxy-2,4-bis(4-hydroxybenzyl)-3-oxo-1,2,4-triazepan-1-yl]sulfonyl}benzonitril | null | null | null | UYUWNNRWESUYOB-FIRIVFDPSA-N |
DB03142 | EXPT00554 | DB02769 | Alpha-L-Arabinose | null | R0L7IU6KYJ | null | HMFHBZSHGGEWLO-QMKXCQHVSA-N |
DB03143 | EXPT01376 | Nonan-1-Ol | 28473-21-4 | NGK73Q6XMC | null | ZWRUINPWMLAQRD-UHFFFAOYSA-N |
DB03144 | EXPT01692 | N(5)-[(hydroxyamino)(imino)methyl]-L-ornithine | null | J2FGL272NZ | N-omega-hydroxy-L-arginine | FQWRAVYMZULPNK-BYPYZUCNSA-N |
DB03145 | EXPT03154 | 4-Methyl-5-Hydroxyethylthiazole Phosphate | null | null | null | OCYMERZCMYJQQO-UHFFFAOYSA-N |
DB03146 | EXPT02944 | EXPT02575 | DB02682 | 2-deazo-6-thiophosphate guanosine-5'-monophosphate | null | null | null | NYBPOGVUIOPXHI-KQYNXXCUSA-O |
DB03147 | EXPT01391 | Flavin adenine dinucleotide | 146-14-5 | ZC44YTI8KK | Adenosine 5'-(trihydrogen pyrophosphate), 5'-5'-ester with riboflavine | adenosine 5'-[3-(riboflavin-5'-yl) dihydrogen diphosphate] | FAD | Flavin adenine dinucleotide | Flavin-Adenine Dinucleotide | Flavine adenine dinucleotide | Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine | Riboflavin 5'-adeno... | VWWQXMAJTJZDQX-UYBVJOGSSA-N |
DB03148 | EXPT00533 | EXPT00363 | Adenosine 5'-methylenediphosphate | 3768-14-7 | 0T2A5439OE | Adenosine 5'-(hydrogen (phosphonomethyl)phosphonate) | Adenosine, 5'-(trihydrogen methylenebis(phosphonate)) | Phosphomethylphosphonic acid adenosyl ester | OLCWZBFDIYXLAA-IOSLPCCCSA-N |
DB03150 | EXPT00113 | 2',3'-Dideoxythymidine-5'-Monophosphate | null | R6VJB6HJ6Y | null | WVNRRNJFRREKAR-JGVFFNPUSA-N |
DB03151 | EXPT01060 | mu4-sulfido-quadro-tetracopper | null | null | μ4-sulfido-quadro-tetracopper | IGIWMDIIFLPFOP-UHFFFAOYSA-N |
DB03152 | EXPT00687 | B-2-Octylglucoside | null | null | null | BVHPDIWLWHHJPD-RKQHYHRCSA-N |
DB03153 | EXPT02643 | 3H-pyrazolo[4,3-d]pyrimidin-7-ol | null | UNA9YT8PYM | null | OGCXIHWGXUQTCQ-UHFFFAOYSA-N |
DB03154 | EXPT01463 | {[7-(Difluoro-Phosphono-Methyl)-Naphthalen-2-Yl]-Difluoro-Methyl}-Phosphonic Acid | null | null | null | VHKBLEYUHBIBNR-UHFFFAOYSA-N |
DB03155 | EXPT03185 | 2'-fluoro-2'-deoxyuridine 3'-monophosphate | null | null | null | IFIXUMAFUNKIAA-XVFCMESISA-N |
DB03156 | EXPT01175 | beta-D-glucuronic acid | 23018-83-9 | 00A9JB14O6 | beta-D-Glucopyranuronic acid | GlcAb | GlcAβ | β-D-glucopyranuronic acid | AEMOLEFTQBMNLQ-QIUUJYRFSA-N |
DB03157 | EXPT01150 | N,O-didansyl-L-tyrosine | null | null | null | LUBOPDUYHWABFG-NDEPHWFRSA-N |
DB03158 | EXPT00125 | D-Myo-Inositol-1,4-Bisphosphate | 47055-78-7 | null | null | PELZSPZCXGTUMR-RTPHHQFDSA-N |
DB03159 | EXPT00282 | CRA_8696 | null | null | null | GAVRMVQHHVMXFD-UHFFFAOYSA-N |
DB03160 | EXPT01960 | N-Pyridoxyl-7-Keto-8-Aminopelargonic Acid-5'-Monophosphate | null | null | null | YXEXNGWPUWJMIT-NSHDSACASA-N |
DB03161 | EXPT03034 | Thymidine-5'-diphospho-beta-D-xylose | null | null | null | AJUADKZRQSBUAK-KDGZBOQCSA-N |
DB03162 | EXPT01550 | 4-oxo-4,5-dihydro-1,2,5-thiadiazole-3-carboxylic acid | 45654-48-6 | null | null | FVZITYNLUYJDOE-UHFFFAOYSA-N |
DB03163 | EXPT01980 | 2-oxopropyl-CoM | null | null | 2-(2-Oxopropylthio)ethanesulfonate | 2-[(2-Oxopropyl)sulfanyl]ethanesulfonic acid | 2-ketopropyl-CoM | CRNXHFXAXBWIRH-UHFFFAOYSA-N |
DB03164 | EXPT02082 | 6-amino-1-methyl-7H-purin-1-ium | null | 98K2TG3E3W | 6-amino-1-methylpurine | DYGBIJOMQSXREB-UHFFFAOYSA-O |
DB03165 | EXPT01154 | 2-Dimethylamino-Ethyl-Diphosphate | null | null | null | QGKJQRINUQGSJM-UHFFFAOYSA-N |
DB03166 | EXPT00423 | DB04184 | Acetic acid | 64-19-7 | Q40Q9N063P | Acetic acid | Acetic acid, glacial | Aceticum acidum | acide acétique | ácido acético | Essigsäure | Ethanoat | Ethanoate | Ethanoic acid | Ethoic acid | Ethylic acid | Glacial acetic acid | HOAc | Methanecarboxylic acid | Vinegar | QTBSBXVTEAMEQO-UHFFFAOYSA-N |
DB03167 | EXPT02511 | Pentabromophenol | 608-71-9 | V89A88NMMX | null | SVHOVVJFOWGYJO-UHFFFAOYSA-N |
DB03168 | EXPT02318 | Nicotinamide adenine dinucleotide cyclohexanone | null | null | null | HTFHWJHTWKCYLR-RINXRSLZSA-N |
DB03169 | EXPT01758 | (S)-Hmg-Coa | null | null | null | CABVTRNMFUVUDM-VRHQGPGLSA-I |
DB03170 | EXPT00980 | Dephospho Coenzyme A | null | null | null | KDTSHFARGAKYJN-IBOSZNHHSA-N |
DB03171 | EXPT01918 | Indole-3-Propanol Phosphate | null | KO9J17S3FI | null | NKEZSFZOUIIZFL-UHFFFAOYSA-N |
DB03172 | EXPT03017 | Tubercidin | 69-33-0 | M351LCX45Y | 7-deazaadenosine | Sparsomycin A | Tubercidine | HDZZVAMISRMYHH-KCGFPETGSA-N |
DB03173 | EXPT01012 | CRA_10433 | null | null | null | CFSQPEBVGUSQII-UHFFFAOYSA-N |
DB03174 | EXPT02628 | Phosphonoacetaldehyde | null | VPZ8FR5BMZ | null | YEMKIGUKNDOZEG-UHFFFAOYSA-N |
DB03175 | EXPT02630 | Propyl alcohol | 71-23-8 | 96F264O9SV | 1-propanol | 1-proponol | N-propanol | N-propyl alcohol | Propanol | BDERNNFJNOPAEC-UHFFFAOYSA-N |
DB03176 | EXPT01852 | KB-141 | 219691-94-8 | M5P363AFVC | 3,5-dichloro-4-(4-hydroxy-3-isopropylphenoxy)phenylacetic acid | OZYQIQVPUZANTM-UHFFFAOYSA-N |
DB03177 | EXPT00250 | 5-methylbenzimidazole | 614-97-1 | R56855UC8Y | 5-methyl-1H-benzimidazole | 6-methyl-1H-benzimidazole | RWXZXCZBMQPOBF-UHFFFAOYSA-N |
DB03178 | EXPT02899 | Guanosine-2',3'-cyclophosphorothioate | 38557-85-6 | null | null | QZEROIIFJLCOOE-FHIGPPGSSA-N |
DB03179 | EXPT02943 | Sinapoyl coenzyme A | null | null | null | HJGDVDUGXUSOGA-ADTMLPBESA-N |
DB03180 | EXPT00037 | 4,5-Dimethyl-1,2-phenylenediamine | 3171-45-7 | 1OJ9D3R6NH | 4,5-Dimethyl-o-phenylenediamine | XSZYBMMYQCYIPC-UHFFFAOYSA-N |
DB03181 | EXPT02554 | 2-[4-(4-Hydroxy-3-Isopropyl-Phenoxy)-3,5-Dimethyl-Phenyl]-2h-[1,2,4]Triazine-3,5-Dione | null | null | null | RXQAVKWRCZYGMV-UHFFFAOYSA-N |
DB03182 | EXPT01407 | alpha-Fluoro-carboxymethyldethia coenzyme A complex | null | null | null | JYRBBNPCUSRRNJ-BHVPBDGNSA-N |
DB03183 | EXPT00243 | 1-(4-Aminophenyl)-3,5-Dimethyl-1h-Pyrazole-4-Carboxylic Acid Ethyl Ester | null | T6MC6N4LS7 | null | FIEYZIRYXYDMSK-UHFFFAOYSA-N |
DB03184 | EXPT03249 | 5-Amino-3-Methyl-Pyrrolidine-2-Carboxylic Acid | null | null | null | ZELPFFKOULVLMW-UOWFLXDJSA-N |
DB03185 | EXPT00750 | 1-Beta-Ribofuranosyl-1,3-Diazepinone | null | null | null | MEPCJRCEYSZBDO-FNCVBFRFSA-N |
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