 | | HGD | | Name: | mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine) | | Formula: | C20 H32 Hg N6 O12 S2 | | SMILES: | O=C(NC(C(=O)NCC(=O)O)CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CCC(C(=O)O)N | | InChi: | InChI=1S/2C10H17N3O6S.Hg/c2*11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16 | | Synonyms: | S-Mercury glutathione | | Definition date: | 2013-10-31 | | Last modified: | 2020-06-17 | | Release date: | 2014-03-19 | | Identifier: | mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine) |
|
 | | MUN | | Name: | [(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-undec-2-enoate | | Formula: | C14 H26 O4 | | SMILES: | CCCCCCCCC=CC(=O)OC[CH](O)CO | | InChi: | InChI=1S/C14H26O4/c1-2-3-4-5-6-7-8-9-10-14(17)18-12-13(16)11-15/h9-10,13,15-16H,2-8,11-12H2,1H3/b10-9+/t13-/m0/s1 | | Synonyms: | MONOUNDECENOIN | | Definition date: | 2017-11-14 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-13 | | Identifier: | [(2~{S})-2,3-bis(oxidanyl)propyl] (~{E})-undec-2-enoate |
|
 | | OHW | | Name: | 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine | | Formula: | C23 H32 F3 N3 O2 | | SMILES: | CCCc1c([nH]c2cc(OC(F)(F)F)ccc12)[CH]3CCCCN3CCN4CCOCC4 | | InChi: | InChI=1S/C23H32F3N3O2/c1-2-5-19-18-8-7-17(31-23(24,25)26)16-20(18)27-22(19)21-6-3-4-9-29(21)11-10-28-12-14-30-15-13-28/h7-8,16,21,27H,2-6,9-15H2,1H3/t21-/m1/s1 | | Synonyms: | CAD204520 | | Definition date: | 2020-03-12 | | Last modified: | 2020-06-17 | | Release date: | 2020-05-20 | | Identifier: | 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine |
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 | | LNC | | Name: | (3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Formula: | C25 H33 N7 O17 P2 | | SMILES: | NC(=O)c1cc(CC[CH](O)C(O)=O)c[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C25H33N7O17P2/c26-20-15-22(29-8-28-20)32(9-30-15)24-19(37)17(35)14(48-24)7-46-51(43,44)49-50(41,42)45-6-13-16(34)18(36)23(47-13)31-4-10(1-2-12(33)25(39)40)3-11(5-31)21(27)38/h3-5,8-9,12-14,16-19,23-24,33-37H,1-2,6-7H2,(H6-,26,27,28,29,38,39,40,41,42,43,44)/t12-,13+,14+,16+,17+,18+,19+,23+,24+/m0/s1 | | Synonyms: | S-LAC-NAD+ | | Definition date: | 2003-04-25 | | Last modified: | 2020-06-17 | | Identifier: | [[(2R,3S,4R,5R)-5-[3-aminocarbonyl-5-[(3S)-3,4-dihydroxy-4-oxo-butyl]pyridin-1-ium-1-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate |
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 | | PR1 | | Name: | 4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE | | Formula: | C19 H19 N5 O4 S2 | | SMILES: | O=C2N(Cc1cc(C(=[N@H])N)ccc1O)CCC2NS(=O)(=O)c4sc3cccnc3c4 | | InChi: | InChI=1S/C19H19N5O4S2/c20-18(21)11-3-4-15(25)12(8-11)10-24-7-5-13(19(24)26)23-30(27,28)17-9-14-16(29-17)2-1-6-22-14/h1-4,6,8-9,13,23,25H,5,7,10H2,(H3,20,21)/t13-/m0/s1 | | Synonyms: | RPR131247 | | Definition date: | 2000-05-22 | | Last modified: | 2020-06-17 | | Identifier: | 4-hydroxy-3-({(3S)-2-oxo-3-[(thieno[3,2-b]pyridin-2-ylsulfonyl)amino]pyrrolidin-1-yl}methyl)benzenecarboximidamide |
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 | | 0JH | | Name: | tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate | | Formula: | C24 H29 N5 O3 | | SMILES: | O=C(OC(C)(C)C)C(C#N)Cc2c(c1c(ncnc1n2CCCO)N)c3ccc(cc3)C | | InChi: | InChI=1S/C24H29N5O3/c1-15-6-8-16(9-7-15)19-18(12-17(13-25)23(31)32-24(2,3)4)29(10-5-11-30)22-20(19)21(26)27-14-28-22/h6-9,14,17,30H,5,10-12H2,1-4H3,(H2,26,27,28)/t17-/m0/s1 | | Synonyms: | (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate, bound form | | Definition date: | 2012-01-23 | | Last modified: | 2020-06-17 | | Identifier: | tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate |
|
 | | PR2 | | Name: | THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE | | Formula: | C19 H17 N5 O3 S2 | | SMILES: | O=C3N(Cc2cc1ccncc1n2)CCC3NS(=O)(=O)c5sc4cccnc4c5 | | InChi: | InChI=1S/C19H17N5O3S2/c25-19-14(23-29(26,27)18-9-15-17(28-18)2-1-5-21-15)4-7-24(19)11-13-8-12-3-6-20-10-16(12)22-13/h1-3,5-6,8-10,14,22-23H,4,7,11H2/t14-/m0/s1 | | Synonyms: | RPR208707 | | Definition date: | 2000-05-22 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3S)-2-oxo-1-(1H-pyrrolo[2,3-c]pyridin-2-ylmethyl)pyrrolidin-3-yl]thieno[3,2-b]pyridine-2-sulfonamide |
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 | | M14 | | Name: | 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide | | Formula: | C21 H14 Cl3 N3 O5 S | | SMILES: | Clc3cc(ccc3NC(=O)COc2cc(Oc1cc(C#N)cc(Cl)c1)cc(Cl)c2)S(=O)(=O)N | | InChi: | InChI=1S/C21H14Cl3N3O5S/c22-13-3-12(10-25)4-16(6-13)32-17-7-14(23)5-15(8-17)31-11-21(28)27-20-2-1-18(9-19(20)24)33(26,29)30/h1-9H,11H2,(H,27,28)(H2,26,29,30) | | Synonyms: | N-[4-(aminosulfonyl)-2-chlorophenyl]-2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]acetamide | | Definition date: | 2008-02-07 | | Last modified: | 2020-06-17 | | Identifier: | 2-[3-chloro-5-(3-chloro-5-cyanophenoxy)phenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide |
|
 | | 0JM | | Name: | (2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carbo
xylic acid | | Formula: | C17 H20 N2 O6 S | | SMILES: | O=C(O)C(c1ccccc1)C(=O)NC3C(O)N2C(C(=O)O)C(SC23)(C)C | | InChi: | InChI=1S/C17H20N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,13-14,21H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10-,11+,13-,14-/m1/s1 | | Synonyms: | Carbenicillin | | Definition date: | 2012-08-13 | | Last modified: | 2020-06-17 | | Release date: | 2012-12-14 | | Identifier: | (2S,5R,6R,7R)-6-{[(2R)-2-carboxy-2-phenylacetyl]amino}-7-hydroxy-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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 | | PCP | | Name: | 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE | | Formula: | C6 H15 O13 P3 | | SMILES: | O=P(OC1CC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O | | InChi: | InChI=1S/C6H15O13P3/c7-5-3(2-17-20(9,10)11)1-4(6(5)8)18-22(15,16)19-21(12,13)14/h3-8H,1-2H2,(H,15,16)(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6+/m1/s1 | | Synonyms: | CARBOXYLIC PRPP | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1S,2R,3R,4R)-2,3-dihydroxy-4-[(phosphonooxy)methyl]cyclopentyl trihydrogen diphosphate |
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 | | RE2 | | Name: | 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol | | Formula: | C14 H14 O3 | | SMILES: | Oc1cc(cc(O)c1)CCc2ccc(O)cc2 | | InChi: | InChI=1S/C14H14O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h3-9,15-17H,1-2H2 | | Synonyms: | Dihydroresveratrol | | Definition date: | 2009-01-19 | | Last modified: | 2020-06-17 | | Identifier: | 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol |
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 | | RRO | | Name: | 5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | | Formula: | C5 H3 Br N2 O4 | | SMILES: | O=C1NC(C(=O)O)=C(Br)C(=O)N1 | | InChi: | InChI=1S/C5H3BrN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12) | | Synonyms: | 5-bromoorotic acid | | Definition date: | 2012-11-19 | | Last modified: | 2020-06-17 | | Release date: | 2013-11-20 | | Identifier: | 5-bromo-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
|
 | | HH3 | | Name: | (2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid | | Formula: | C9 H9 N O4 | | SMILES: | O=C(NC(O)C(=O)O)c1ccccc1 | | InChi: | InChI=1S/C9H9NO4/c11-7(10-8(12)9(13)14)6-4-2-1-3-5-6/h1-5,8,12H,(H,10,11)(H,13,14)/t8-/m0/s1 | | Synonyms: | alpha-hydroxyhippuric acid | | Definition date: | 2009-01-26 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid |
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 | | TSV | | Name: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8
,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate | | Formula: | C35 H44 F N5 O9 S | | SMILES: | O=S(=O)(NC(=O)C12NC(=O)C5N(C(=O)C(NC(=O)OC(C)(C)C)CCCCCC=CC2C1)CC(OC(=O)n4cc3cccc(F)c3c4)C5)C6CC6 | | InChi: | InChI=1S/C35H44FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,18,20,22-24,27-28H,4-6,8,13-17,19H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1 | | Synonyms: | ITMN-191 | | Definition date: | 2010-04-21 | | Last modified: | 2020-06-17 | | Identifier: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate |
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 | | RE8 | | Name: | 4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid | | Formula: | C20 H14 N2 O4 S | | SMILES: | O=S(=O)(O)c4ccc(/N=N/c2c1ccccc1ccc2O)c3ccccc34 | | InChi: | InChI=1S/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/b22-21+ | | Synonyms: | Acid red 88 | | Definition date: | 2013-03-13 | | Last modified: | 2020-06-17 | | Release date: | 2014-02-12 | | Identifier: | 4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid |
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 | | SLA | | Name: | Omuralide, open form | | Formula: | C10 H17 N O4 | | SMILES: | O=CC1(NC(=O)C(C1O)C)C(O)C(C)C | | InChi: | InChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1 | | Synonyms: | (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde | | Definition date: | 2011-06-04 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde |
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 | | MVD | | Name: | 2ALPHA-METHYL-1ALPHA,25-DIHYDROXY-VITAMIN D3 | | Formula: | C28 H46 O3 | | SMILES: | OC3C(C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3C)=C | | InChi: | InChI=1S/C28H46O3/c1-18(9-7-15-27(4,5)31)23-13-14-24-21(10-8-16-28(23,24)6)11-12-22-17-25(29)20(3)26(30)19(22)2/h11-12,18,20,23-26,29-31H,2,7-10,13-17H2,1,3-6H3/b21-11+,22-12-/t18-,20+,23-,24+,25-,26-,28-/m1/s1 | | Synonyms: | 9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL,2-METHYL-,(1A,2A,3B,5Z,7E) | | Definition date: | 2006-06-20 | | Last modified: | 2020-06-17 | | Identifier: | (1S,2S,3R,5Z,7E,14beta,17alpha)-2-methyl-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
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 | | TGF | | Name: | 2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAM
INO)-4-CARBOXY-BUTYRYLAMINO]-PENTANEDIOIC ACID | | Formula: | C30 H37 N9 O13 | | SMILES: | O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C=O)CCC(=O)O | | InChi: | InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)39(13-40)16(12-33-24)11-32-15-3-1-14(2-4-15)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,16-19,32H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,33,37,38,46)/t16-,17-,18-,19-/m0/s1 | | Synonyms: | TRIGLU-5-FORMYL-TETRAHYDROFOLATE | | Definition date: | 2002-12-02 | | Last modified: | 2020-06-17 | | Identifier: | N-{[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid |
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 | | REF | | Name: | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione | | Formula: | C14 H6 O8 | | SMILES: | O=C1Oc3c2c4c1cc(O)c(O)c4OC(=O)c2cc(O)c3O | | InChi: | InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H | | Synonyms: | Ellagic acid, 4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone | | Definition date: | 2008-03-12 | | Last modified: | 2020-06-17 | | Identifier: | 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione |
|
 | | OIS | | Name: | (S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3
-((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE | | Formula: | C34 H46 N6 O6 S2 | | SMILES: | O=S(=O)(c1ccc(C=NO)cc1)N(CC(C)C)CC(O)C(NC(=O)C(N2C(=O)N(CC2)Cc3nc(sc3)C)C(C)C)Cc4ccccc4 | | InChi: | InChI=1S/C34H46N6O6S2/c1-23(2)19-39(48(45,46)29-13-11-27(12-14-29)18-35-44)21-31(41)30(17-26-9-7-6-8-10-26)37-33(42)32(24(3)4)40-16-15-38(34(40)43)20-28-22-47-25(5)36-28/h6-14,18,22-24,30-32,41,44H,15-17,19-21H2,1-5H3,(H,37,42)/b35-18+/t30-,31+,32-/m0/s1 | | Synonyms: | OXIMINOARYLSULFONAMIDE | | Definition date: | 2005-02-11 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-N-{(1S,2R)-1-benzyl-2-hydroxy-3-[({4-[(E)-(hydroxyimino)methyl]phenyl}sulfonyl)(2-methylpropyl)amino]propyl}-3-methyl-2-{3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxoimidazolidin-1-yl}butanamide |
|
 | | MVL | | Name: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | | Formula: | C8 H12 N2 O4 | | SMILES: | n1ccn2c1C(O)C(O)C(O)C2CO | | InChi: | InChI=1S/C8H12N2O4/c11-3-4-5(12)6(13)7(14)8-9-1-2-10(4)8/h1-2,4-7,11-14H,3H2/t4-,5-,6+,7+/m1/s1 | | Synonyms: | Mannoimidazole | | Definition date: | 2008-01-25 | | Last modified: | 2020-06-17 | | Identifier: | (5R,6R,7S,8R)-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
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 | | LO4 | | Name: | Ciglitazone | | Formula: | C18 H23 N O3 S | | SMILES: | c2(OCC1(C)CCCCC1)ccc(cc2)CC=3C(NC(=O)S=3)=O | | InChi: | InChI=1S/C18H23NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,23H,2-4,9-12H2,1H3,(H,19,20,21) | | Synonyms: | 5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione | | Definition date: | 2019-03-06 | | Last modified: | 2020-06-17 | | Release date: | 2019-11-06 | | Identifier: | 5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione |
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 | | TT8 | | Name: | (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic
acid | | Formula: | C15 H22 N6 O5 S | | SMILES: | O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)NC)C(O)C3O | | InChi: | InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1 | | Synonyms: | S-(N6-Methyladenosyl)-L-homocysteine | | Definition date: | 2011-07-13 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-amino-4-[({(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)-9H-purin-9-yl]tetrahydrofuran-2-yl}methyl)sulfanyl]butanoic acid (non-preferred name) |
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 | | PRX | | Name: | ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER | | Formula: | C13 H20 N5 O7 P | | SMILES: | OC1C(OC(COP(=O)(O)OCCC)C1O)n2cnc3c2ncnc3N | | InChi: | InChI=1S/C13H20N5O7P/c1-2-3-23-26(21,22)24-4-7-9(19)10(20)13(25-7)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H,21,22)(H2,14,15,16)/t7-,9-,10-,13-/m1/s1 | | Synonyms: | ADENOSINE-5'-PROPYLPHOSPHATE | | Definition date: | 2003-02-18 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-[(R)-hydroxy(propoxy)phosphoryl]adenosine |
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 | | TTD | | Name: | CIS-SYN CYCLOBUTANE THYMINE DIMER | | Formula: | C20 H28 N4 O15 P2 | | SMILES: | O=C1NC(=O)C5(C4N1C2OC(C(O)C2)COP(=O)(O)OC6C(OC(N3C(=O)NC(=O)C5(C34)C)C6)COP(=O)(O)O)C | | InChi: | InChI=1S/C20H28N4O15P2/c1-19-13-14-20(19,2)16(27)22-18(29)24(14)12-4-8(10(38-12)6-35-40(30,31)32)39-41(33,34)36-5-9-7(25)3-11(37-9)23(13)17(28)21-15(19)26/h7-14,25H,3-6H2,1-2H3,(H,33,34)(H,21,26,28)(H,22,27,29)(H2,30,31,32)/t7-,8-,9+,10+,11+,12+,13+,14-,19-,20+/m0/s1 | | Synonyms: | [(3S,4S,9S,10R,12R,15AR,18BS,18CS)-3,7-DIHYDROXY-15A,15B-DIMETHYL-7-OXIDO-13,15,16,18-TETRAOXOHEXADECAHYDRO-1H-1,4-EPOX
Y-9,12-METHANO-6,8,11-TRIOXA-12A,14,17,18A-TETRAAZA-7-PHOSPHACYCLOHEXADECA[1,2,3,4-DEF]BIPHENYLEN-10-YL]METHYL DIHYDROGEN PHOSPHATE | | Definition date: | 2004-03-16 | | Last modified: | 2020-06-17 | | Identifier: | [(1R,3R,4S,6S,9R,10S,12R,15aS,15bR,18bR,18cS)-6,10-dihydroxy-15a,15b-dimethyl-6-oxido-13,15,16,18-tetraoxohexadecahydro-8H-9,12-epoxy-1,4-methano-2,5,7-trioxa-12a,14,17,18a-tetraaza-6-phosphacyclohexadeca[1,2,3,4-def]biphenylen-3-yl]methyl dihydrogen phosphate |
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