 | | SCD | | 表記: | SUCCINYL(CARBADETHIA)-COENZYME A | | 組成式: | C26 H42 N7 O19 P3 | | SMILES: | O=C(O)CCC(=O)CCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C26H42N7O19P3/c1-26(2,21(39)24(40)29-9-7-16(35)28-8-3-4-14(34)5-6-17(36)37)11-49-55(46,47)52-54(44,45)48-10-15-20(51-53(41,42)43)19(38)25(50-15)33-13-32-18-22(27)30-12-31-23(18)33/h12-13,15,19-21,25,38-39H,3-11H2,1-2H3,(H,28,35)(H,29,40)(H,36,37)(H,44,45)(H,46,47)(H2,27,30,31)(H2,41,42,43)/t15-,19-,20-,21+,25-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name) |
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 | | HNB | | 表記: | (2S,5R)-5-pentyltetrahydrofuran-2-ol | | 組成式: | C9 H18 O2 | | SMILES: | OC1OC(CCCCC)CC1 | | InChi: | InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1 | | 定義日: | 2008-10-07 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2S,5R)-5-pentyltetrahydrofuran-2-ol |
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 | | SCO | | 表記: | SUCCINAMIDE-COA | | 組成式: | C25 H41 N8 O19 P3 | | SMILES: | O=C(O)CCC(=O)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 | | InChi: | InChI=1S/C25H41N8O19P3/c1-25(2,20(39)23(40)29-6-5-15(35)28-8-7-27-14(34)3-4-16(36)37)10-49-55(46,47)52-54(44,45)48-9-13-19(51-53(41,42)43)18(38)24(50-13)33-12-32-17-21(26)30-11-31-22(17)33/h11-13,18-20,24,38-39H,3-10H2,1-2H3,(H,27,34)(H,28,35)(H,29,40)(H,36,37)(H,44,45)(H,46,47)(H2,26,30,31)(H2,41,42,43)/t13-,18-,19-,20+,24-/m1/s1 | | 定義日: | 2001-12-07 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-11,15,18-triaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name) |
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 | | SD1 | | 表記: | 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide | | 組成式: | C27 H31 N3 O5 | | SMILES: | O=C(N)c2ccc(cc2Nc1cc(OC)c(OC)c(OC)c1)n4c(cc3C(=O)CC(Cc34)(C)C)C | | InChi: | InChI=1S/C27H31N3O5/c1-15-9-19-21(13-27(2,3)14-22(19)31)30(15)17-7-8-18(26(28)32)20(12-17)29-16-10-23(33-4)25(35-6)24(11-16)34-5/h7-12,29H,13-14H2,1-6H3,(H2,28,32) | | 定義日: | 2010-04-23 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2-[(3,4,5-trimethoxyphenyl)amino]-4-(2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide |
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 | | SDX | | 表記: | s-citryldethia Coenzyme A | | 組成式: | C28 H46 N7 O22 P3 | | SMILES: | O=C(O)C(O)(CC(=O)O)CC(=O)CCCNC(=O)CCNC(O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | | InChi: | InChI=1S/C28H46N7O22P3/c1-27(2,21(41)24(42)31-7-5-16(37)30-6-3-4-14(36)8-28(45,26(43)44)9-17(38)39)11-54-60(51,52)57-59(49,50)53-10-15-20(56-58(46,47)48)19(40)25(55-15)35-13-34-18-22(29)32-12-33-23(18)35/h12-13,15,19-21,24-25,31,40-42,45H,3-11H2,1-2H3,(H,30,37)(H,38,39)(H,43,44)(H,49,50)(H,51,52)(H2,29,32,33)(H2,46,47,48)/t15-,19-,20-,21+,24+,25-,28-/m1/s1 | | 定義日: | 2008-09-16 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2R)-2-{(11S,12R,16R,18S)-20-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-11,12,16,18-tetrahydroxy-13,13-dimethyl-16,18-dioxido-2,7-dioxo-15,17,19-trioxa-6,10-diaza-16,18-diphosphaicos-1-yl}-2-hydroxybutanedioic acid (non-preferred name) |
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 | | SE0 | | 表記: | (2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-2-oxo-1-{[(2R)-tetrahydrothiophen-2-ylacetyl]amino}ethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | | 組成式: | C17 H23 N3 O7 S2 | | SMILES: | O=C(NC(C(=O)OCC(C(=O)O)N)C1N=C(C(=O)O)C(=C)CS1)CC2SCCC2 | | InChi: | InChI=1S/C17H23N3O7S2/c1-8-7-29-14(20-12(8)16(24)25)13(17(26)27-6-10(18)15(22)23)19-11(21)5-9-3-2-4-28-9/h9-10,13-14H,1-7,18H2,(H,19,21)(H,22,23)(H,24,25)/t9-,10+,13+,14-/m1/s1 | | 定義日: | 2008-03-27 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2R)-2-[(1R)-2-[(2S)-2-amino-2-carboxyethoxy]-2-oxo-1-{[(2R)-tetrahydrothiophen-2-ylacetyl]amino}ethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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 | | BAP | | 表記: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | | 組成式: | C20 H16 O3 | | SMILES: | OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O | | InChi: | InChI=1S/C20H16O3/c21-16-9-14-13-7-6-11-3-1-2-10-4-5-12(18(13)17(10)11)8-15(14)19(22)20(16)23/h1-8,16,19-23H,9H2/t16-,19-,20-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (7R,8R,9R)-7,8,9,10-tetrahydrobenzo[pqr]tetraphene-7,8,9-triol |
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 | | SFB | | 表記: | (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE | | 組成式: | C20 H28 N8 O11 S | | SMILES: | O=C(NS(=O)(=O)CC2C(OC(N1C(=O)NC(=O)C=C1)C2O)CO)C5OC(n3c4ncnc(N)c4nc3)C(O)C5O | | InChi: | InChI=1S/C20H24N8O11S/c21-15-10-16(23-5-22-15)28(6-24-10)19-13(33)12(32)14(39-19)17(34)26-40(36,37)4-7-8(3-29)38-18(11(7)31)27-2-1-9(30)25-20(27)35/h1-2,5-8,11-14,18-19,29,31-33H,3-4H2,(H,26,34)(H2,21,22,23)(H,25,30,35)/t7-,8-,11-,12+,13-,14+,18-,19-/m1/s1 | | 定義日: | 2010-08-16 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-({[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]methyl}sulfonyl)-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name) |
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 | | BC | | 表記: | BENZO[G]CHRYSENE | | 組成式: | C22 H18 O3 | | SMILES: | OC5c1c(c3c(cc1)c2ccccc2c4ccccc34)CC(O)C5O | | InChi: | InChI=1S/C22H18O3/c23-19-11-18-17(21(24)22(19)25)10-9-16-14-7-2-1-5-12(14)13-6-3-4-8-15(13)20(16)18/h1-10,19,21-25H,11H2/t19-,21-,22-/m0/s1 | | 定義日: | 1999-08-17 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (11S,12S,13S)-11,12,13,14-tetrahydrobenzo[g]chrysene-11,12,13-triol |
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 | | BCA | | 表記: | 4-HYDROXYBENZOYL COENZYME A | | 組成式: | C28 H40 N7 O18 P3 S | | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)c4ccc(O)cc4 | | InChi: | InChI=1S/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33-24(19)35/h3-6,13-14,17,20-22,26,36,38-39H,7-12H2,1-2H3,(H,30,37)(H,31,40)(H,45,46)(H,47,48)(H2,29,32,33)(H2,42,43,44)/t17-,20-,21-,22+,26-/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | S-{(9R,13S,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 4-hydroxybenzenecarbothioate (non-preferred name) |
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 | | BCR | | 表記: | BETA-CAROTENE | | 組成式: | C40 H56 | | SMILES: | C(/C1=C(CCCC1(C)C)C)=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC2=C(C)CCCC2(C)C)C)C)C)C | | InChi: | InChI=1S/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+ | | 定義日: | 2001-06-26 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | beta,beta-carotene |
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 | | SGP | | 表記: | GUANOSINE-2',3'-CYCLOPHOSPHOROTHIOATE | | 組成式: | C10 H12 N5 O6 P S | | SMILES: | S=P1(OC2C(OC(C2O1)CO)n3c4N=C(N)NC(=O)c4nc3)O | | InChi: | InChI=1S/C10H12N5O6PS/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)19-9)20-22(18,23)21-6/h2-3,5-6,9,16H,1H2,(H,18,23)(H3,11,13,14,17)/t3-,5-,6-,9-,22+/m1/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]-1,9-dihydro-6H-purin-6-one |
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 | | BCY | | 表記: | CARBOXYAMINO[4.3.0]BICYCLO1,6-DIAZANONAN-2-ONE | | 組成式: | C9 H15 N3 O2 | | SMILES: | O=CC2N1C(=O)C(N)(CCN1CC2)C | | InChi: | InChI=1S/C9H15N3O2/c1-9(10)3-5-11-4-2-7(6-13)12(11)8(9)14/h6-7H,2-5,10H2,1H3/t7-,9-/m0/s1 | | 定義日: | 1999-07-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (1S,7S)-7-amino-7-methyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carbaldehyde |
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 | | BD1 | | 表記: | 3A,4,7,7A-TETRAHYDRO-BENZO [1,3] DIOXOL-2-ONE | | 組成式: | C7 H10 O3 | | SMILES: | O1C2CC=CCC2OC1O | | InChi: | InChI=1S/C7H10O3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-2,5-8H,3-4H2/t5-,6+,7+ | | 定義日: | 2003-03-14 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2r,3aR,7aS)-3a,4,7,7a-tetrahydro-1,3-benzodioxol-2-ol |
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 | | SIB | | 表記: | (2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)TETRAHYDROFURAN-2-YL]METHYL}THIO)BUTANOIC ACID | | 組成式: | C14 H19 N5 O6 S | | SMILES: | O=C(O)C(N)CCSCC3OC(n2cnc1c2N=CNC1=O)C(O)C3O | | InChi: | InChI=1S/C14H19N5O6S/c15-6(14(23)24)1-2-26-3-7-9(20)10(21)13(25-7)19-5-18-8-11(19)16-4-17-12(8)22/h4-7,9-10,13,20-21H,1-3,15H2,(H,23,24)(H,16,17,22)/t6-,7+,9+,10+,13+/m0/s1 | | 定義日: | 2007-04-26 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (2S)-2-amino-4-({[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name) |
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 | | BEK | | 表記: | 2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE | | 組成式: | C8 H5 F4 N O2 | | SMILES: | Fc1c(F)c(c(F)c(F)c1OC)C(=O)N | | InChi: | InChI=1S/C8H5F4NO2/c1-15-7-5(11)3(9)2(8(13)14)4(10)6(7)12/h1H3,(H2,13,14) | | 定義日: | 2001-12-13 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2,3,5,6-tetrafluoro-4-methoxybenzamide |
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 | | SIR | | 表記: | COBALT SIROHYDROCHLORIN | | 組成式: | C42 H44 Co N4 O16 | | SMILES: | O=C(O)CC5(C(=C3C=C1C(=C(c8n1[Co+2]47n2c(c(c(c2cc6n7C(=CC5N34)C(CCC(=O)O)C6(CC(=O)O)C)CC(=O)O)CCC(=O)O)c8)CCC(=O)O)CC(=O)O)CCC(=O)O)C | | InChi: | InChI=1S/C42H44N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29 | | 定義日: | 2010-11-04 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | {3,3',3'',3'''-[(8S,9S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,9,12,13,22,24-hexahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}cobalt(2+) |
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 | | BF4 | | 表記: | BERYLLIUM TETRAFLUORIDE ION | | 組成式: | Be F4 | | SMILES: | F[Be-2](F)(F)F | | InChi: | InChI=1S/Be.4FH/h | | 定義日: | 2002-03-20 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | tetrafluoroberyllate(2-) |
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 | | BFC | | 表記: | (R)-3-HYDROXYTETRADECANAL | | 組成式: | C14 H28 O2 | | SMILES: | O=CCC(O)CCCCCCCCCCC | | InChi: | InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-14(16)12-13-15/h13-14,16H,2-12H2,1H3/t14-/m1/s1 | | 定義日: | 2006-11-02 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (3R)-3-hydroxytetradecanal |
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 | | BFX | | 表記: | 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide | | 組成式: | C31 H31 Br Cl F N2 O2 | | SMILES: | Clc1ccccc1CN(C(=O)C4=C(c2ccc(cc2)CCCOc3cc(F)ccc3Br)CCNC4)C5CC5 | | InChi: | InChI=1S/C31H31BrClFN2O2/c32-28-14-11-24(34)18-30(28)38-17-3-4-21-7-9-22(10-8-21)26-15-16-35-19-27(26)31(37)36(25-12-13-25)20-23-5-1-2-6-29(23)33/h1-2,5-11,14,18,25,35H,3-4,12-13,15-17,19-20H2 | | 定義日: | 2009-10-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide |
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 | | SK2 | | 表記: | (3R)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID BENZYL ESTER | | 組成式: | C19 H21 N3 O6 S | | SMILES: | O=S(=O)(O)Nc1ccc3c(c1)CN(C(=O)OCc2ccccc2)C(C(=O)NC)C3 | | InChi: | InChI=1S/C19H21N3O6S/c1-20-18(23)17-10-14-7-8-16(21-29(25,26)27)9-15(14)11-22(17)19(24)28-12-13-5-3-2-4-6-13/h2-9,17,21H,10-12H2,1H3,(H,20,23)(H,25,26,27)/t17-/m0/s1 | | 定義日: | 2005-12-05 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | [(3S)-2-[(benzyloxy)carbonyl]-3-(methylcarbamoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]sulfamic acid |
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 | | SK3 | | 表記: | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE-1,2,3,4-TETROL | | 組成式: | C12 H17 N O4 | | SMILES: | OC2C(NCc1ccccc1)C(O)C(O)C2O | | InChi: | InChI=1S/C12H17NO4/c14-9-8(10(15)12(17)11(9)16)13-6-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8-,9+,10-,11+,12- | | 定義日: | 2006-01-24 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | (1R,2R,3S,4S,5r)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol |
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 | | SKF | | 表記: | 1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-SULFONIC ACID AMIDE | | 組成式: | C9 H12 N2 O2 S | | SMILES: | O=S(=O)(c1ccc2c(c1)CNCC2)N | | InChi: | InChI=1S/C9H12N2O2S/c10-14(12,13)9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2,(H2,10,12,13) | | 定義日: | 2001-01-08 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 1,2,3,4-tetrahydroisoquinoline-7-sulfonamide |
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 | | SL2 | | 表記: | 3'-DEOXY-2'-O-(2,2,5,5-TETRAMETHYL-1-OXYL-PYRROLIN-3-YL) ADENOSINE 5'-DIPHOSPHATE | | 組成式: | C19 H28 N6 O11 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)C(OC(=O)C3=CC(N(O)C3(C)C)(C)C)C4 | | InChi: | InChI=1S/C19H28N6O11P2/c1-18(2)6-11(19(3,4)25(18)27)17(26)35-12-5-10(7-33-38(31,32)36-37(28,29)30)34-16(12)24-9-23-13-14(20)21-8-22-15(13)24/h6,8-10,12,16,27H,5,7H2,1-4H3,(H,31,32)(H2,20,21,22)(H2,28,29,30)/t10-,12+,16+/m0/s1 | | 定義日: | 2003-04-23 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 3'-deoxy-2'-O-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]adenosine 5'-(trihydrogen diphosphate) |
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 | | SL3 | | 表記: | 2'-DEOXY-3'-O-(2,2,5,5-TETRAMETHYL-1-OXYL-PYRROLIN-3-YL) ADENOSINE 5'-DIPHOSPHATE | | 組成式: | C19 H28 N6 O11 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)C3=CC(N(O)C3(C)C)(C)C | | InChi: | InChI=1S/C19H28N6O11P2/c1-18(2)6-10(19(3,4)25(18)27)17(26)35-11-5-13(24-9-23-14-15(20)21-8-22-16(14)24)34-12(11)7-33-38(31,32)36-37(28,29)30/h6,8-9,11-13,27H,5,7H2,1-4H3,(H,31,32)(H2,20,21,22)(H2,28,29,30)/t11-,12+,13+/m0/s1 | | 定義日: | 2003-04-23 | | 最終更新日: | 2011-06-04 | | 識別子（ID）: | 2'-deoxy-3'-O-[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]adenosine 5'-(trihydrogen diphosphate) |
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