 | | MTH | | Name: | 2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | | Formula: | C12 H16 N4 O3 S | | SMILES: | S(C)CC3OC(n2ccc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C12H16N4O3S/c1-20-4-7-8(17)9(18)12(19-7)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)/t7-,8-,9-,12-/m1/s1 | | Synonyms: | 5'-DEOXY-5'-(METHYLTHIO)-TUBERCIDIN | | Definition date: | 2002-12-12 | | Last modified: | 2021-03-01 | | Identifier: | 7-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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 | | RAB | | Name: | 2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | | Formula: | C10 H13 N5 O4 | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N | | InChi: | InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7+,10-/m1/s1 | | Synonyms: | 9-BETA-D-ARABINOFURANOSYL-ADENINE | | Definition date: | 2003-07-09 | | Last modified: | 2021-03-01 | | Identifier: | 9-beta-D-arabinofuranosyl-9H-purin-6-amine |
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 | | NLI | | Name: | N-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}acetamide | | Formula: | C18 H23 F2 N7 O3 | | SMILES: | O=C(NCCONC(=[N@H])N)CN1C(=CN=C(C1=O)NCC(F)(F)c2ccccc2)C | | InChi: | InChI=1S/C18H23F2N7O3/c1-12-9-24-15(25-11-18(19,20)13-5-3-2-4-6-13)16(29)27(12)10-14(28)23-7-8-30-26-17(21)22/h2-6,9H,7-8,10-11H2,1H3,(H,23,28)(H,24,25)(H4,21,22,26) | | Synonyms: | RWJ-671818 | | Definition date: | 2010-04-15 | | Last modified: | 2021-03-01 | | Identifier: | N-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}acetamide |
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 | | JIN | | Name: | 6-(2,6-DICHLOROPHENYL)-2-[(4-FLUORO-3-METHYLPHENYL)AMINO]-8-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE | | Formula: | C21 H15 Cl2 F N4 O | | SMILES: | Fc1c(cc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(Cl)cccc4Cl)C)C | | InChi: | InChI=1S/C21H15Cl2FN4O/c1-11-8-13(6-7-17(11)24)26-21-25-10-12-9-14(20(29)28(2)19(12)27-21)18-15(22)4-3-5-16(18)23/h3-10H,1-2H3,(H,25,26,27) | | Synonyms: | PD180970 | | Definition date: | 2006-08-10 | | Last modified: | 2021-03-01 | | Identifier: | 6-(2,6-dichlorophenyl)-2-[(4-fluoro-3-methylphenyl)amino]-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one |
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 | | MTP | | Name: | 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL | | Formula: | C11 H14 N4 O4 S | | SMILES: | n2c1c(ncnc1SC)n(c2)C3OC(C(O)C3O)CO | | InChi: | InChI=1S/C11H14N4O4S/c1-20-10-6-9(12-3-13-10)15(4-14-6)11-8(18)7(17)5(2-16)19-11/h3-5,7-8,11,16-18H,2H2,1H3/t5-,7-,8-,11-/m1/s1 | | Synonyms: | 9-BETA-D-RIBOFURANOSYL-6-METHYLTHIOPURINE | | Definition date: | 2003-06-23 | | Last modified: | 2021-03-01 | | Identifier: | 6-(methylsulfanyl)-9-beta-D-ribofuranosyl-9H-purine |
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 | | C9C | | Name: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid | | Formula: | C10 H10 O5 | | SMILES: | OCCOC(=O)c1ccc(cc1)C(O)=O | | InChi: | InChI=1S/C10H10O5/c11-5-6-15-10(14)8-3-1-7(2-4-8)9(12)13/h1-4,11H,5-6H2,(H,12,13) | | Synonyms: | monohydroxyethyl terephthalate | | Definition date: | 2019-04-16 | | Last modified: | 2021-03-01 | | Release date: | 2020-04-15 | | Identifier: | 4-(2-hydroxyethyloxycarbonyl)benzoic acid |
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 | | MEI | | Name: | (2E,4E)-11-METHOXY-3,7,11-TRIMETHYLDODECA-2,4-DIENOIC ACID | | Formula: | C16 H28 O3 | | SMILES: | O=C(O)C=C(C=CCC(CCCC(OC)(C)C)C)C | | InChi: | InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1 | | Synonyms: | METOPRENIC ACID | | Definition date: | 2003-08-26 | | Last modified: | 2021-03-01 | | Identifier: | (2E,4E,7S)-11-methoxy-3,7,11-trimethyldodeca-2,4-dienoic acid |
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 | | TCE | | Name: | 3,3',3''-phosphanetriyltripropanoic acid | | Formula: | C9 H15 O6 P | | SMILES: | O=C(O)CCP(CCC(=O)O)CCC(=O)O | | InChi: | InChI=1S/C9H15O6P/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15) | | Synonyms: | 3-[bis(2-carboxyethyl)phosphanyl]propanoic acid | | Definition date: | 2009-01-12 | | Last modified: | 2021-03-01 | | Identifier: | 3,3',3''-phosphanetriyltripropanoic acid |
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 | | MEM | | Name: | (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | | Formula: | C17 H25 N3 O5 S | | SMILES: | O=C(N(C)C)C3NCC(SC2=C(C(=O)O)N1C(=O)C(C(O)C)C1C2C)C3 | | InChi: | InChI=1S/C17H25N3O5S/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4/h7-12,18,21H,5-6H2,1-4H3,(H,24,25)/t7-,8-,9+,10+,11-,12-/m1/s1 | | Synonyms: | Meropenem (closed form) | | Definition date: | 2012-04-30 | | Last modified: | 2021-03-01 | | Identifier: | (4R,5S,6S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid |
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 | | SIP | | Name: | 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | | Formula: | C23 H26 F N3 O2 | | SMILES: | Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4 | | InChi: | InChI=1S/C23H26FN3O2/c24-19-10-8-18(9-11-19)21(28)7-4-14-26-15-12-23(13-16-26)22(29)25-17-27(23)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-17H2,(H,25,29) | | Synonyms: | Spiperone | | Definition date: | 2017-08-08 | | Last modified: | 2021-03-01 | | Release date: | 2020-12-30 | | Identifier: | 8-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one |
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 | | TCI | | Name: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol | | Formula: | C21 H30 O2 | | SMILES: | CCCCCc1cc(O)c2[CH]3C=C(C)CC[CH]3C(C)(C)Oc2c1 | | InChi: | InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1 | | Synonyms: | Tetrahydrocannabinol | | Definition date: | 2010-02-23 | | Last modified: | 2021-03-01 | | Identifier: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]isochromen-1-ol |
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 | | NLX | | Name: | (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM | | Formula: | C20 H24 N O4 | | SMILES: | O=C5C3Oc1c2c(ccc1O)CC4C(O)(C23CC[N+]4(C)C/C=C)CC5 | | InChi: | InChI=1S/C20H23NO4/c1-3-9-21(2)10-8-19-16-12-4-5-13(22)17(16)25-18(19)14(23)6-7-20(19,24)15(21)11-12/h3-5,15,18,24H,1,6-11H2,2H3/p+1/t15-,18+,19+,20-,21-/m1/s1 | | Synonyms: | N-METHYLNALOXONIUM | | Definition date: | 2002-10-24 | | Last modified: | 2021-03-01 | | Identifier: | (5alpha,17S)-3,14-dihydroxy-17-methyl-6-oxo-17-(prop-2-en-1-yl)-4,5-epoxymorphinan-17-ium |
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 | | SIS | | Name: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside | | Formula: | C19 H37 N5 O7 | | SMILES: | O(C2C(O)C(OC1OC(=CCC1N)CN)C(N)CC2N)C3OCC(O)(C(NC)C3O)C | | InChi: | InChI=1S/C19H37N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h3,9-18,24-27H,4-7,20-23H2,1-2H3/t9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+/m1/s1 | | Synonyms: | Sisomicin | | Definition date: | 2012-06-12 | | Last modified: | 2021-03-01 | | Identifier: | (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside |
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 | | NM1 | | Name: | 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE | | Formula: | C34 H37 N3 O7 S | | SMILES: | O=S2(=O)N(C(C(O)C(O)C(N2Cc1cc(C(=O)NC)ccc1)COc3ccccc3)COc4ccccc4)Cc5ccccc5 | | InChi: | InChI=1S/C34H37N3O7S/c1-35-34(40)27-15-11-14-26(20-27)22-37-31(24-44-29-18-9-4-10-19-29)33(39)32(38)30(23-43-28-16-7-3-8-17-28)36(45(37,41)42)21-25-12-5-2-6-13-25/h2-20,30-33,38-39H,21-24H2,1H3,(H,35,40)/t30-,31-,32+,33+/m1/s1 | | Synonyms: | AHA047 | | Definition date: | 2000-10-30 | | Last modified: | 2021-03-01 | | Identifier: | 3-{[(3R,4S,5S,6R)-7-benzyl-4,5-dihydroxy-1,1-dioxido-3,6-bis(phenoxymethyl)-1,2,7-thiadiazepan-2-yl]methyl}-N-methylbenzamide |
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 | | TCU | | Name: | 5-HEXYL-2-(2-METHYLPHENOXY)PHENOL | | Formula: | C19 H24 O2 | | SMILES: | O(c1c(cccc1)C)c2ccc(cc2O)CCCCCC | | InChi: | InChI=1S/C19H24O2/c1-3-4-5-6-10-16-12-13-19(17(20)14-16)21-18-11-8-7-9-15(18)2/h7-9,11-14,20H,3-6,10H2,1-2H3 | | Synonyms: | 2-(O-TOLYLOXY)-5-HEXYLPHENOL | | Definition date: | 2010-01-10 | | Last modified: | 2021-03-01 | | Identifier: | 5-hexyl-2-(2-methylphenoxy)phenol |
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 | | MF5 | | Name: | 1-(1-methylpyridin-1-ium-2-yl)-N-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]methoxy]methanimine | | Formula: | C14 H10 F5 N2 O | | SMILES: | Fc1c(F)c(F)c(F)c(F)c1CON=Cc2[n+](cccc2)C | | InChi: | InChI=1S/C14H10F5N2O/c1-21-5-3-2-4-8(21)6-20-22-7-9-10(15)12(17)14(19)13(18)11(9)16/h2-6H,7H2,1H3/q+1/b20-6+ | | Synonyms: | methyl2-(pentafluorobenzyloxyimino)pyridinium | | Definition date: | 2012-07-04 | | Last modified: | 2021-03-01 | | Release date: | 2012-08-24 | | Identifier: | 1-methyl-2-[(E)-{[(pentafluorobenzyl)oxy]imino}methyl]pyridinium |
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 | | B31 | | Name: | (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide | | Formula: | C21 H41 N5 O12 | | SMILES: | O=C(NC3C(O)C(OC1OC(C(O)C1O)CO)C(OC2OC(CN)C(O)C(O)C2N)C(N)C3)C(O)CCN | | InChi: | InChI=1S/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1 | | Synonyms: | Butirosin A | | Definition date: | 2009-05-10 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-4-amino-N-[(1R,2S,3R,4R,5S)-5-amino-4-[(2,6-diamino-2,6-dideoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxy-3-(beta-D-xylofuranosyloxy)cyclohexyl]-2-hydroxybutanamide |
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 | | B32 | | Name: | 5'-S-[2-(decylamino)ethyl]-5'-thioadenosine | | Formula: | C22 H38 N6 O3 S | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCCNCCCCCCCCCC)N | | InChi: | InChI=1S/C22H38N6O3S/c1-2-3-4-5-6-7-8-9-10-24-11-12-32-13-16-18(29)19(30)22(31-16)28-15-27-17-20(23)25-14-26-21(17)28/h14-16,18-19,22,24,29-30H,2-13H2,1H3,(H2,23,25,26)/t16-,18-,19-,22-/m1/s1 | | Synonyms: | S-adenosyl-N-decyl-aminoethyl (SADAE) | | Definition date: | 2009-05-04 | | Last modified: | 2021-03-01 | | Identifier: | 5'-S-[2-(decylamino)ethyl]-5'-thioadenosine |
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 | | PC1 | | Name: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE | | Formula: | C44 H88 N O8 P | | SMILES: | O=C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/t42-/m1/s1 | | Synonyms: | 3-SN-PHOSPHATIDYLCHOLINE | | Definition date: | 2003-07-09 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2,3-bis(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate |
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 | | KTN | | Name: | CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE | | Formula: | C26 H28 Cl2 N4 O4 | | SMILES: | O=C(N5CCN(c4ccc(OCC1OC(OC1)(c2ccc(Cl)cc2Cl)Cn3cncc3)cc4)CC5)C | | InChi: | InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26+/m0/s1 | | Synonyms: | KETOCONAZOLE | | Definition date: | 2001-09-20 | | Last modified: | 2021-03-01 | | Identifier: | 1-acetyl-4-(4-{[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine |
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 | | L7O | | Name: | N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide | | Formula: | C22 H24 N6 O2 | | SMILES: | O=C2NC=C(c1nc(ncc1)NC)C=C2NC(=O)c3ccc(cc3)N4CCCCC4 | | InChi: | InChI=1S/C22H24N6O2/c1-23-22-24-10-9-18(27-22)16-13-19(21(30)25-14-16)26-20(29)15-5-7-17(8-6-15)28-11-3-2-4-12-28/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,30)(H,26,29)(H,23,24,27) | | Synonyms: | 3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylamino)pyrimidin-4-yl)-(1H)-pyridin-2-one | | Definition date: | 2011-05-26 | | Last modified: | 2021-03-01 | | Identifier: | N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide |
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 | | KET | | Name: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYLENE)-AMINO]-SUCCINIC ACID | | Formula: | C12 H16 N2 O9 P | | SMILES: | O=C(O)CC(/N=C/c1c(c[nH+]c(c1O)C)COP(=O)(O)O)C(=O)O | | InChi: | InChI=1S/C12H15N2O9P/c1-6-11(17)8(4-14-9(12(18)19)2-10(15)16)7(3-13-6)5-23-24(20,21)22/h3-4,9,17H,2,5H2,1H3,(H,15,16)(H,18,19)(H2,20,21,22)/p+1/b14-4+/t9-/m0/s1 | | Synonyms: | PYRIDOXYLIDENE-ASPARTIC ACID-5-MONOPHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridinium-4-yl}methylidene)-L-aspartic acid |
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 | | MUS | | Name: | 4-METHYL-2-OXO-2H-CHROMEN-7-YL 5-(ACETYLAMINO)-3,5-DIDEOXY-L-ERYTHRO-NON-2-ULOPYRANOSIDONIC ACID | | Formula: | C21 H25 N O11 | | SMILES: | O=C3Oc2c(ccc(OC1(OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1)C(=O)O)c2)C(=C3)C | | InChi: | InChI=1S/C21H25NO11/c1-9-5-16(27)31-15-6-11(3-4-12(9)15)32-21(20(29)30)7-13(25)17(22-10(2)24)19(33-21)18(28)14(26)8-23/h3-6,13-14,17-19,23,25-26,28H,7-8H2,1-2H3,(H,22,24)(H,29,30)/t13-,14+,17+,18+,19+,21+/m0/s1 | | Synonyms: | METHYLUMBELLIFERYL SIALIC ACID | | Definition date: | 2004-01-19 | | Last modified: | 2021-03-01 | | Identifier: | 4-methyl-2-oxo-2H-chromen-7-yl 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid |
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 | | TDK | | Name: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1S)-1-HYDROXY-1-[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM | | Formula: | C15 H26 N4 O11 P3 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(P(=O)(OC)O)C | | InChi: | InChI=1S/C15H25N4O11P3S/c1-9-12(5-6-29-33(26,27)30-32(23,24)25)34-14(15(3,20)31(21,22)28-4)19(9)8-11-7-17-10(2)18-13(11)16/h7,20H,5-6,8H2,1-4H3,(H5-,16,17,18,21,22,23,24,25,26,27)/p+1/t15-/m0/s1 | | Synonyms: | 2-PHOSPHONOLACTYLTHIAMIN DIPHOSPHATE | | Definition date: | 2005-12-01 | | Last modified: | 2021-03-01 | | Identifier: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(methoxy)phosphoryl]ethyl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium |
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 | | TDL | | Name: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM | | Formula: | C15 H23 N4 O10 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1sc([n+](c1C)Cc2cnc(nc2N)C)C(O)(C(=O)O)C | | InChi: | InChI=1S/C15H22N4O10P2S/c1-8-11(4-5-28-31(26,27)29-30(23,24)25)32-13(15(3,22)14(20)21)19(8)7-10-6-17-9(2)18-12(10)16/h6,22H,4-5,7H2,1-3H3,(H5-,16,17,18,20,21,23,24,25,26,27)/p+1/t15-/m1/s1 | | Synonyms: | 2-LACTYLTHIAMIN DIPHOSPHATE | | Definition date: | 2005-12-01 | | Last modified: | 2021-03-01 | | Identifier: | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1S)-1-carboxy-1-hydroxyethyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium |
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