 | | P1O | | Name: | 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | | Formula: | C28 H57 N O8 P | | SMILES: | O=C(OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)CCCCCCCCC)CCCCCCCCC | | InChi: | InChI=1S/C28H56NO8P/c1-6-8-10-12-14-16-18-20-27(30)34-24-26(25-36-38(32,33)35-23-22-29(3,4)5)37-28(31)21-19-17-15-13-11-9-7-2/h26H,6-25H2,1-5H3/p+1/t26-/m1/s1 | | Definition date: | 2004-07-27 | | Last modified: | 2011-06-04 | | Identifier: | (4R,7R)-7-(decanoyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphanonadecan-1-aminium 4-oxide |
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 | | NS6 | | Name: | (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | | Formula: | C18 H27 N3 O4 S2 | | SMILES: | O=S(=O)(c1ccc2c(c1)S(=O)(=O)NC(C2)C3CCCC3)N4CCN(C)CC4 | | InChi: | InChI=1S/C18H27N3O4S2/c1-20-8-10-21(11-9-20)27(24,25)16-7-6-15-12-17(14-4-2-3-5-14)19-26(22,23)18(15)13-16/h6-7,13-14,17,19H,2-5,8-12H2,1H3/t17-/m1/s1 | | Definition date: | 2009-04-27 | | Last modified: | 2011-06-04 | | Identifier: | (3R)-3-cyclopentyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide |
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 | | NS7 | | Name: | (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide | | Formula: | C19 H29 N3 O4 S2 | | SMILES: | O=S(=O)(c1c(cc2c(c1)S(=O)(=O)NC(C2)C3CCCC3)C)N4CCN(C)CC4 | | InChi: | InChI=1S/C19H29N3O4S2/c1-14-11-16-12-17(15-5-3-4-6-15)20-27(23,24)19(16)13-18(14)28(25,26)22-9-7-21(2)8-10-22/h11,13,15,17,20H,3-10,12H2,1-2H3/t17-/m1/s1 | | Definition date: | 2009-04-27 | | Last modified: | 2011-06-04 | | Identifier: | (3R)-3-cyclopentyl-6-methyl-7-[(4-methylpiperazin-1-yl)sulfonyl]-3,4-dihydro-2H-1,2-benzothiazine 1,1-dioxide |
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 | | 005 | | Name: | (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid | | Formula: | C10 H13 N O3 | | SMILES: | O=C(O)C(O)C(N)Cc1ccccc1 | | InChi: | InChI=1S/C10H13NO3/c11-8(9(12)10(13)14)6-7-4-2-1-3-5-7/h1-5,8-9,12H,6,11H2,(H,13,14)/t8-,9-/m0/s1 | | Definition date: | 2010-04-27 | | Last modified: | 2011-06-04 | | Identifier: | (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoic acid |
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 | | SPA | | Name: | THIOPHENEACETIC ACID | | Formula: | C6 H6 O2 S | | SMILES: | O=C(O)Cc1sccc1 | | InChi: | InChI=1S/C6H6O2S/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2,(H,7,8) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | thiophen-2-ylacetic acid |
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 | | UPP | | Name: | PHENYL-URIDINE-5'-DIPHOSPHATE | | Formula: | C15 H18 N2 O12 P2 | | SMILES: | O=P(O)(Oc1ccccc1)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O | | InChi: | InChI=1S/C15H18N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,16,18,21)/t10-,12-,13-,14-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(R)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]uridine |
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 | | PGL | | Name: | (aminomethyl)phosphonic acid | | Formula: | C H6 N O3 P | | SMILES: | O=P(O)(O)CN | | InChi: | InChI=1S/CH6NO3P/c2-1-6(3,4)5/h1-2H2,(H2,3,4,5) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (aminomethyl)phosphonic acid |
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 | | P1R | | Name: | PYRIMIDINE | | Formula: | C4 H4 N2 | | SMILES: | n1cccnc1 | | InChi: | InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H | | Definition date: | 2006-05-02 | | Last modified: | 2011-06-04 | | Identifier: | pyrimidine |
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 | | NSA | | Name: | 2,2-DICHLORO-N-PHENYL-ACETAMIDE | | Formula: | C8 H7 Cl2 N O | | SMILES: | O=C(Nc1ccccc1)C(Cl)Cl | | InChi: | InChI=1S/C8H7Cl2NO/c9-7(10)8(12)11-6-4-2-1-3-5-6/h1-5,7H,(H,11,12) | | Definition date: | 1999-12-13 | | Last modified: | 2011-06-04 | | Identifier: | 2,2-dichloro-N-phenylacetamide |
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 | | 008 | | Name: | (S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | | Formula: | C20 H22 F N3 O2 | | SMILES: | Fc1ccccc1CC(N)CC(=O)N3C(C(=O)N)Cc2c(cccc2)C3 | | InChi: | InChI=1S/C20H22FN3O2/c21-17-8-4-3-6-14(17)9-16(22)11-19(25)24-12-15-7-2-1-5-13(15)10-18(24)20(23)26/h1-8,16,18H,9-12,22H2,(H2,23,26)/t16-,18+/m1/s1 | | Definition date: | 2005-06-09 | | Last modified: | 2011-06-04 | | Identifier: | (3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
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 | | YE1 | | Name: | [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL (3R)-4-({3-[(2-{[(3,5-DIHYDROXYPHENYL)ACETYL]AMINO}ETHYL)AMINO]-3-OXOPROPYL}AMINO)-3-HYDROXY-2,2-DIMETHYL-4-OXOBUTYL DIHYDROGEN DIPHOSPHATE | | Formula: | C29 H43 N8 O19 P3 | | SMILES: | O=C(NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)Cc4cc(O)cc(O)c4 | | InChi: | InChI=1S/C29H43N8O19P3/c1-29(2,24(43)27(44)33-4-3-19(40)31-5-6-32-20(41)9-15-7-16(38)10-17(39)8-15)12-53-59(50,51)56-58(48,49)52-11-18-23(55-57(45,46)47)22(42)28(54-18)37-14-36-21-25(30)34-13-35-26(21)37/h7-8,10,13-14,18,22-24,28,38-39,42-43H,3-6,9,11-12H2,1-2H3,(H,31,40)(H,32,41)(H,33,44)(H,48,49)(H,50,51)(H2,30,34,35)(H2,45,46,47)/t18-,22-,23-,24+,28-/m1/s1 | | Definition date: | 2006-11-07 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-4-({3-[(2-{[(3,5-dihydroxyphenyl)acetyl]amino}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) |
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 | | PGN | | Name: | 2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATE | | Formula: | C10 H15 N5 O10 P2 | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)COP(=O)(O)O | | InChi: | InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(16)14-10)12-3-15(8)6-1-4(25-27(20,21)22)5(24-6)2-23-26(17,18)19/h3-6H,1-2H2,(H2,17,18,19)(H2,20,21,22)(H3,11,13,14,16)/t4-,5+,6+/m0/s1 | | Definition date: | 2001-07-02 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxyguanosine 3',5'-bis(dihydrogen phosphate) |
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 | | 009 | | Name: | (4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide | | Formula: | C37 H43 N5 O3 | | SMILES: | O=C4N(Cc1ccccc1)CC(C(=O)NC(Cc2ccccc2)C(O)CNCc3cccc(N(C)C)c3)(N4)Cc5ccccc5 | | InChi: | InChI=1S/C37H43N5O3/c1-41(2)32-20-12-19-31(21-32)24-38-25-34(43)33(22-28-13-6-3-7-14-28)39-35(44)37(23-29-15-8-4-9-16-29)27-42(36(45)40-37)26-30-17-10-5-11-18-30/h3-21,33-34,38,43H,22-27H2,1-2H3,(H,39,44)(H,40,45)/t33-,34+,37-/m0/s1 | | Definition date: | 2008-03-17 | | Last modified: | 2011-06-04 | | Identifier: | (4S)-1,4-dibenzyl-N-[(1S,2R)-1-benzyl-3-{[3-(dimethylamino)benzyl]amino}-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide |
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 | | UPS | | Name: | 2'-deoxy-5'-O-thiophosphonouridine | | Formula: | C9 H13 N2 O7 P S | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2)COP(=S)(O)O | | InChi: | InChI=1S/C9H13N2O7PS/c12-5-3-8(11-2-1-7(13)10-9(11)14)18-6(5)4-17-19(15,16)20/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,20)/t5-,6+,8+/m0/s1 | | Definition date: | 2009-02-10 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxy-5'-O-thiophosphonouridine |
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 | | 00A | | Name: | 5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine | | Formula: | C17 H17 Cl N5 O8 P | | SMILES: | Clc1ccc(cc1)C(=O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C17H17ClN5O8P/c18-9-3-1-8(2-4-9)17(26)31-32(27,28)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5H2,(H,27,28)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1 | | Definition date: | 2008-04-28 | | Last modified: | 2011-06-04 | | Identifier: | 5'-O-[(S)-{[(4-chlorophenyl)carbonyl]oxy}(hydroxy)phosphoryl]adenosine |
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 | | SPF | | Name: | SINAPOYL COENZYME A | | Formula: | C32 H44 N7 O20 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C4(O)C(C)(C)C4OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=Cc5cc(OC)c(O)c(OC)c5 | | InChi: | InChI=1S/C32H44N7O20P3S/c1-31(2)29(32(31,45)30(44)35-8-7-20(40)34-9-10-63-21(41)6-5-16-11-17(53-3)23(42)18(12-16)54-4)58-62(51,52)59-61(49,50)55-13-19-25(57-60(46,47)48)24(43)28(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h5-6,11-12,14-15,19,24-25,28-29,42-43,45H,7-10,13H2,1-4H3,(H,34,40)(H,35,44)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t19-,24+,25-,28-,29-,32?/m1/s1 | | Definition date: | 2004-03-30 | | Last modified: | 2011-06-04 | | Identifier: | S-(2-{[3-({[(1R,3R)-3-{[(S)-{[(S)-{[(2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-1-hydroxy-2,2-dimethylcyclopropyl]carbonyl}amino)propanoyl]amino}ethyl) (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enethioate (non-preferred name) |
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 | | PGP | | Name: | GUANOSINE-3',5'-DIPHOSPHATE | | Formula: | C10 H15 N5 O11 P2 | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3O)COP(=O)(O)O | | InChi: | InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(26-28(21,22)23)3(25-9)1-24-27(18,19)20/h2-3,5-6,9,16H,1H2,(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | guanosine 3',5'-bis(dihydrogen phosphate) |
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 | | NSD | | Name: | N-(3-aminopropyl)propane-1,3-diamine | | Formula: | C6 H17 N3 | | SMILES: | NCCCNCCCN | | InChi: | InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2 | | Definition date: | 2010-05-28 | | Last modified: | 2011-06-04 | | Identifier: | N-(3-aminopropyl)propane-1,3-diamine |
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 | | UCL | | Name: | 5-CHLORO-2'-DEOXYURIDINE 5'-(DIHYDROGEN PHOSPHATE) | | Formula: | C9 H12 Cl N2 O8 P | | SMILES: | ClC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1S/C9H12ClN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 | | Definition date: | 2006-09-07 | | Last modified: | 2011-06-04 | | Identifier: | 5-chloro-2'-deoxyuridine 5'-(dihydrogen phosphate) |
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 | | UPU | | Name: | [(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-4-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDROFURAN-3-YL HYDROGEN (S)-PHOSPHATE | | Formula: | C18 H23 N4 O14 P | | SMILES: | O=C1C=CN(C(=O)N1)C4OC(CO)C(OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O)C4O | | InChi: | InChI=1S/C18H23N4O14P/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1 | | Definition date: | 2007-05-24 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (S)-phosphate (non-preferred name) |
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 | | T4K | | Name: | (2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | | Formula: | C24 H35 N4 O19 P3 | | SMILES: | O=P(OC2OC(C(/N=C/c1c(cnc(c1O)C)COP(=O)(O)O)C(O)C2O)C)(O)OP(=O)(O)OCC4OC(N3C=C(C(=O)NC3=O)C)CC4O | | InChi: | InChI=1S/C24H35N4O19P3/c1-10-7-28(24(34)27-22(10)33)17-4-15(29)16(45-17)9-43-49(38,39)47-50(40,41)46-23-21(32)20(31)18(12(3)44-23)26-6-14-13(8-42-48(35,36)37)5-25-11(2)19(14)30/h5-7,12,15-18,20-21,23,29-32H,4,8-9H2,1-3H3,(H,38,39)(H,40,41)(H,27,33,34)(H2,35,36,37)/b26-6+/t12-,15+,16-,17-,18-,20+,21-,23-/m1/s1 | | Definition date: | 2007-05-03 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3R,4S,5S,6R)-3,4-dihydroxy-5-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | YE6 | | Name: | 5-(2-chlorophenyl)furan-2-carbohydrazide | | Formula: | C11 H9 Cl N2 O2 | | SMILES: | O=C(c2oc(c1c(Cl)cccc1)cc2)NN | | InChi: | InChI=1S/C11H9ClN2O2/c12-8-4-2-1-3-7(8)9-5-6-10(16-9)11(15)14-13/h1-6H,13H2,(H,14,15) | | Definition date: | 2007-03-29 | | Last modified: | 2011-06-04 | | Identifier: | 5-(2-chlorophenyl)furan-2-carbohydrazide |
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 | | NE1 | | Name: | 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL | | Formula: | C12 H5 Cl5 O | | SMILES: | Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)c(Cl)c2Cl | | InChi: | InChI=1S/C12H5Cl5O/c13-7-2-1-6(10(16)11(7)17)5-3-8(14)12(18)9(15)4-5/h1-4,18H | | Definition date: | 2006-03-07 | | Last modified: | 2011-06-04 | | Identifier: | 2',3,3',4',5-pentachlorobiphenyl-4-ol |
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 | | 5MC | | Name: | 5-METHYLCYTIDINE-5'-MONOPHOSPHATE | | Formula: | C10 H16 N3 O8 P | | SMILES: | O=C1N=C(N)C(=CN1C2OC(C(O)C2O)COP(=O)(O)O)C | | InChi: | InChI=1S/C10H16N3O8P/c1-4-2-13(10(16)12-8(4)11)9-7(15)6(14)5(21-9)3-20-22(17,18)19/h2,5-7,9,14-15H,3H2,1H3,(H2,11,12,16)(H2,17,18,19)/t5-,6-,7-,9-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 5-methylcytidine 5'-(dihydrogen phosphate) |
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 | | YE7 | | Name: | IMIDAZO[2,1-A]ISOQUINOLINE-2-CARBOHYDRAZIDE | | Formula: | C12 H10 N4 O | | SMILES: | O=C(c1nc2c3c(ccn2c1)cccc3)NN | | InChi: | InChI=1S/C12H10N4O/c13-15-12(17)10-7-16-6-5-8-3-1-2-4-9(8)11(16)14-10/h1-7H,13H2,(H,15,17) | | Definition date: | 2007-03-29 | | Last modified: | 2011-06-04 | | Identifier: | imidazo[2,1-a]isoquinoline-2-carbohydrazide |
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