 | | S4U | | 表記: | 4-THIOURIDINE-5'-PHOSPHATE | | 組成式: | C9 H13 N2 O8 P S | | SMILES: | S=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1/C9H13N2O8PS/c12-6-4(3-18-20(15,16)17)19-8(7(6)13)11-2-1-5(21)10-9(11)14/h1-2,4,6-8,12-13H,3H2,(H,10,14,21)(H2,15,16,17)/t4-,6-,7-,8-/m1/s1/f/h10,15-16H | | 定義日: | 1999-07-08 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 1-(5-O-phosphono-beta-D-ribofuranosyl)-4-thioxo-3,4-dihydropyrimidin-2(1H)-one |
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 | | CS0 | | 表記: | S-(2-HYDROXYETHYL)-L-CYSTEINE | | 組成式: | C5 H11 N O3 S | | SMILES: | O=C(O)C(N)CSCCO | | InChi: | InChI=1/C5H11NO3S/c6-4(5(8)9)3-10-2-1-7/h4,7H,1-3,6H2,(H,8,9)/t4-/m0/s1/f/h8H | | 定義日: | 2008-03-25 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | S-(2-hydroxyethyl)-L-cysteine |
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 | | CUC | | 表記: | CYCLOHEXYLGLYCYL | | 組成式: | C8 H15 N O2 | | SMILES: | O=C(O)C(N)C1CCCCC1 | | InChi: | InChI=1/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)/t7-/m0/s1/f/h10H | | 定義日: | 1999-07-08 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | (2S)-amino(cyclohexyl)ethanoic acid |
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 | | STY | | 表記: | TYROSINE-O-SULPHONIC ACID | | 組成式: | C9 H11 N O6 S | | SMILES: | O=S(=O)(Oc1ccc(cc1)CC(C(=O)O)N)O | | InChi: | InChI=1/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1/f/h11,13H | | 定義日: | 1999-07-08 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | O-sulfo-L-tyrosine |
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 | | T31 | | 表記: | THYMIDINE 5'-MONOTHIOPHOSPHATE | | 組成式: | C9 H13 N2 O8 P S | | SMILES: | O=P(O)(S)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O | | InChi: | InChI=1/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1/f/h10,16,21H | | 定義日: | 1998-01-07 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 5'-O-thiophosphonouridine |
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 | | T36 | | 表記: | SPLIT LINKAGE THYMIDINE 5'-MONOPHOSPHATE | | 組成式: | C10 H15 N2 O7 P | | SMILES: | O=C1N=CC(=CN1C2OC(C(O)C2)COP(=O)(O)O)C | | InChi: | InChI=1/C10H15N2O7P/c1-6-3-11-10(14)12(4-6)9-2-7(13)8(19-9)5-18-20(15,16)17/h3-4,7-9,13H,2,5H2,1H3,(H2,15,16,17)/t7-,8+,9+/m0/s1/f/h15-16H | | 定義日: | 2004-07-12 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methylpyrimidin-2(1H)-one |
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 | | T37 | | 表記: | 3'-AMINO-2'DEOXYTHYMIDINE 5'-MONOPHOSPHATE | | 組成式: | C10 H16 N3 O7 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(N)C2)COP(=O)(O)O | | InChi: | InChI=1/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1/f/h12,16-17H | | 定義日: | 1998-01-28 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 3'-amino-3'-deoxythymidine 5'-(dihydrogen phosphate) |
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 | | TPH | | 表記: | 2-AMINO-3-PHENYL-PROPANE-1,1-DIOL GROUP | | 組成式: | C9 H13 N O2 | | SMILES: | OC(O)C(N)Cc1ccccc1 | | InChi: | InChI=1/C9H13NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8-9,11-12H,6,10H2/t8-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | (2S)-2-amino-3-phenylpropane-1,1-diol |
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 | | DXN | | 表記: | (1R,3S,4R)-4-(PHOSPHOOXYMETHYL)-CYCLOPENTANE-1,3-DIOL | | 組成式: | C6 H13 O6 P | | SMILES: | O=P(OCC1CC(O)CC1O)(O)O | | InChi: | InChI=1/C6H13O6P/c7-5-1-4(6(8)2-5)3-12-13(9,10)11/h4-8H,1-3H2,(H2,9,10,11)/t4-,5+,6+/m1/s1/f/h9-10H | | 定義日: | 2004-09-12 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | [(1R,2S,4S)-2,4-dihydroxycyclopentyl]methyl dihydrogen phosphate |
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 | | EHP | | 表記: | 3-HYDROXYPHENYLALANINE | | 組成式: | C9 H11 N O3 | | SMILES: | O=C(O)C(N)Cc1cc(O)ccc1 | | InChi: | InChI=1/C9H11NO3/c10-8(9(12)13)5-6-2-1-3-7(11)4-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1/f/h12H | | 定義日: | 1999-07-08 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 3-hydroxy-L-phenylalanine |
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 | | 0AU | | 表記: | 5-iodouridine 5'-(dihydrogen phosphate) | | 組成式: | C9 H12 I N2 O9 P | | SMILES: | IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1/C9H12IN2O9P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(21-8)2-20-22(17,18)19/h1,4-6,8,13-14H,2H2,(H,11,15,16)(H2,17,18,19)/t4-,5-,6-,8-/m1/s1/f/h11,17-18H | | 定義日: | 2007-11-11 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 5-iodouridine 5'-(dihydrogen phosphate) |
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 | | D1P | | 表記: | 2'-DEOXY-RIBOFURANOSE-5'-PHOSPHATE | | 組成式: | C5 H11 O7 P | | SMILES: | O=P(OCC1OC(O)CC1O)(O)O | | InChi: | InChI=1/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5-/m0/s1/f/h8-9H | | 別名: | ABASIC DEOXYRIBOSE | | 定義日: | 1999-07-08 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranose |
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 | | DCG | | 表記: | 2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE | | 組成式: | C10 H14 N5 O7 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O | | InChi: | InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1/f/h14,18-19H,11H2 | | 定義日: | 1999-07-08 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 2'-deoxy-5'-guanylic acid |
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 | | B1F | | 表記: | PHENYLALANINE BORONIC ACID | | 組成式: | C8 H12 B N O2 | | SMILES: | OB(O)C(N)Cc1ccccc1 | | InChi: | InChI=1/C8H12BNO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,11-12H,6,10H2/t8-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | [(1R)-1-amino-2-phenylethyl]boronic acid |
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 | | DHU | | 表記: | 5,6-DIHYDROURIDINE-5'-PHOSPHATE | | 組成式: | C9 H15 N2 O9 P | | SMILES: | O=C1N(CCC(=O)N1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1/f/h10,16-17H | | 定義日: | 1999-07-08 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 5'-uridylic acid |
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 | | DOH | | 表記: | BETA-HYDROXY ASPARTIC ACID | | 組成式: | C4 H7 N O5 | | SMILES: | O=C(O)C(N)C(O)C(=O)O | | InChi: | InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)/t1-,2-/m0/s1/f/h7,9H | | 定義日: | 1999-07-08 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | (3S)-3-hydroxy-L-aspartic acid |
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 | | G32 | | 表記: | O6-METHYL-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE | | 組成式: | C11 H16 N5 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1OC)N)CC3O | | InChi: | InChI=1/C11H16N5O7P/c1-21-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(17)6(23-7)3-22-24(18,19)20/h4-7,17H,2-3H2,1H3,(H2,12,14,15)(H2,18,19,20)/t5-,6+,7+/m0/s1/f/h18-19H,12H2 | | 定義日: | 1994-04-30 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6-methoxy-9H-purin-2-amine |
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 | | G42 | | 表記: | 8-OXO-2'-DEOXY-GUANOSINE-5'-MONOPHOSPHATE | | 組成式: | C10 H14 N5 O8 P | | SMILES: | O=C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O | | InChi: | InChI=1/C10H14N5O8P/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(23-5)2-22-24(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1/f/h12,14,19-20H,11H2 | | 定義日: | 1995-02-27 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 2'-deoxy-8-oxoguanosine 5'-(dihydrogen phosphate) |
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 | | 5IT | | 表記: | 5-IODO-THYMIDINE-5'-PHOSPHATE | | 組成式: | C9 H12 I N2 O8 P | | SMILES: | IC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1/C9H12IN2O8P/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/f/h11,16-17H | | 定義日: | 1999-07-08 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 2'-deoxy-5-iodouridine 5'-(dihydrogen phosphate) |
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 | | HAC | | 表記: | BETA-CYCLOHEXYL-ALANINE | | 組成式: | C9 H17 N O2 | | SMILES: | O=C(O)C(N)CC1CCCCC1 | | InChi: | InChI=1/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m0/s1/f/h11H | | 定義日: | 1999-07-08 | | 最終更新日: | 2009-01-07 | | 識別子（ID）: | 3-cyclohexyl-L-alanine |
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 | | T | | 表記: | THYMIDINE-5'-MONOPHOSPHATE | | 組成式: | C10 H15 N2 O8 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1/f/h11,16-17H | | 定義日: | 1999-07-08 | | 最終更新日: | 2008-10-15 | | 識別子（ID）: | 5'-thymidylic acid |
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 | | ZO3 | | 表記: | ZINC ION, 3 WATERS COORDINATED | | 組成式: | H6 O3 Zn | | SMILES: | O|[Zn++](|O)|O | | InChi: | InChI=1/3H2O.Zn/h3*1H2 | | 定義日: | 2000-05-02 | | 最終更新日: | 2008-10-14 |
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 | | ZH3 | | 表記: | ZINC TRIHYDROXIDE | | 組成式: | H3 O3 Zn | | SMILES: | O[Zn-](O)O | | InChi: | InChI=1/3H2O.Zn/h3*1H2 | | 定義日: | 2005-01-20 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | trihydroxyzincate(1-) |
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 | | YH | | 表記: | YTTRIUM ION, 1 WATER COORDINATED | | 組成式: | H2 O Y | | SMILES: | [OH2][Y+2] | | 定義日: | 1999-11-12 | | 最終更新日: | 2008-10-14 |
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 | | UIC | | 表記: | (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL {(1S,2R)-1-BENZYL-2-HYDROXY-3-[{[4-(HYDROXYMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]PROPYL}CARBAMATE | | 組成式: | C29 H40 N2 O7 S | | SMILES: | O=S(=O)(c1ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C(OCC2)C3)Cc4ccccc4 | | InChi: | InChI=1/C29H40N2O7S/c1-20(2)17-31(39(35,36)25-10-8-22(19-32)9-11-25)18-27(33)26(14-21-6-4-3-5-7-21)30-29(34)38-24-15-23-12-13-37-28(23)16-24/h3-11,20,23-24,26-28,32-33H,12-19H2,1-2H3,(H,30,34)/t23-,24+,26-,27+,28+/m0/s1/f/h30H | | 定義日: | 2006-05-23 | | 最終更新日: | 2008-10-14 | | 識別子（ID）: | (3aS,5R,6aR)-hexahydro-2H-cyclopenta[b]furan-5-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[{[4-(hydroxymethyl)phenyl]sulfonyl}(2-methylpropyl)amino]propyl}carbamate |
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