![ORO ORO](https://data.pdbj.org/pdbjplus/data/cc/svg/ORO.svg) | ORO | 表記: | OROTIC ACID | 組成式: | C5 H4 N2 O4 | SMILES: | O=C(O)C1=CC(=O)NC(=O)N1 | InChi: | InChI=1S/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11) | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
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![OTA OTA](https://data.pdbj.org/pdbjplus/data/cc/svg/OTA.svg) | OTA | 表記: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID | 組成式: | C10 H10 N2 O5 S | SMILES: | O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2 | InChi: | InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17) | 定義日: | 2000-04-18 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2-[(carboxycarbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid |
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![7CP 7CP](https://data.pdbj.org/pdbjplus/data/cc/svg/7CP.svg) | 7CP | 表記: | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | 組成式: | C18 H18 Cl2 N4 O | SMILES: | N#CC4c1c(n(c2c1ccc(Cl)c2Cl)C)C(=O)NC34CCN(C)CC3 | InChi: | InChI=1S/C18H18Cl2N4O/c1-23-7-5-18(6-8-23)11(9-21)13-10-3-4-12(19)14(20)15(10)24(2)16(13)17(25)22-18/h3-4,11H,5-8H2,1-2H3,(H,22,25)/t11-/m1/s1 | 定義日: | 2007-11-30 | 最終更新日: | 2011-06-04 | 識別子(ID): | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile |
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![OXK OXK](https://data.pdbj.org/pdbjplus/data/cc/svg/OXK.svg) | OXK | 表記: | OXALYL-COENZYME A | 組成式: | C23 H36 N7 O19 P3 S | SMILES: | O=C(O)C(=O)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 | InChi: | InChI=1S/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11,14-16,20,32-33H,3-8H2,1-2H3,(H,25,31)(H,26,34)(H,35,36)(H,41,42)(H,43,44)(H2,24,27,28)(H2,38,39,40)/t11-,14-,15-,16+,20-/m1/s1 | 定義日: | 2007-02-26 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3S,5S,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-18-thia-11,15-diaza-3,5-diphosphaicosan-20-oic acid 3,5-dioxide (non-preferred name) |
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![OXR OXR](https://data.pdbj.org/pdbjplus/data/cc/svg/OXR.svg) | OXR | 表記: | 4-OXORETINOL | 組成式: | C20 H28 O2 | SMILES: | O=C1C(=C(C=CC(=CC=CC(=CCO)C)C)C(C)(C)CC1)C | InChi: | InChI=1S/C20H28O2/c1-15(7-6-8-16(2)12-14-21)9-10-18-17(3)19(22)11-13-20(18,4)5/h6-10,12,21H,11,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-12+ | 定義日: | 2004-08-27 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4-oxoretinol |
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![OXT OXT](https://data.pdbj.org/pdbjplus/data/cc/svg/OXT.svg) | OXT | 表記: | 3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXY-3-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]-1,11,15,17-TETRAHYDROXY-12,12-DIMETHYL-15,17-DIOXIDO-6,10-DIOXO-14,16,18-TRIOXA-2-THIA-5,9-DIAZA-15,17-DIPHOSPHANONADEC-1-YL}-5-(2-{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-4-METHYL-1,3-THIAZOL-3-IUM | 組成式: | C34 H55 N11 O24 P5 S2 | SMILES: | O=P(O)(O)OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(O)c2sc(c([n+]2Cc3cnc(nc3N)C)C)CCOP(=O)(O)OP(=O)(O)O)n4c5ncnc(N)c5nc4 | InChi: | InChI=1S/C34H54N11O24P5S2/c1-17-21(6-9-63-72(57,58)68-71(54,55)56)76-32(44(17)12-19-11-39-18(2)43-27(19)35)33(50)75-10-8-37-22(46)5-7-38-30(49)26(48)34(3,4)14-65-74(61,62)69-73(59,60)64-13-20-25(67-70(51,52)53)24(47)31(66-20)45-16-42-23-28(36)40-15-41-29(23)45/h11,15-16,20,24-26,31,33,47-48,50H,5-10,12-14H2,1-4H3,(H12-,35,36,37,38,39,40,41,43,46,49,51,52,53,54,55,56,57,58,59,60,61,62)/p+1/t20-,24-,25-,26+,31-,33-/m1/s1 | 定義日: | 2007-02-26 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1R,11R,15S,17R)-19-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-1,11,15,17-tetrahydroxy-12,12-dimethyl-15,17-dioxido-6,10-dioxo-14,16,18-trioxa-2-thia-5,9-diaza-15,17-diphosphanonadec-1-yl}-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium (non-preferred name) |
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![OXZ OXZ](https://data.pdbj.org/pdbjplus/data/cc/svg/OXZ.svg) | OXZ | 表記: | TETRAHYDROOXAZINE | 組成式: | C5 H11 N O4 | SMILES: | OC1C(ONCC1O)CO | InChi: | InChI=1S/C5H11NO4/c7-2-4-5(9)3(8)1-6-10-4/h3-9H,1-2H2/t3-,4-,5+/m1/s1 | 定義日: | 2004-07-16 | 最終更新日: | 2011-06-04 | 識別子(ID): | (4R,5S,6R)-6-(hydroxymethyl)-1,2-oxazinane-4,5-diol |
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![P04 P04](https://data.pdbj.org/pdbjplus/data/cc/svg/P04.svg) | P04 | 表記: | 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one | 組成式: | C19 H21 N7 O | SMILES: | O=C5Nc1cccc(c1)Nc3nc2c(cnn2c(n3)NC4CC4)CCCC5 | InChi: | InChI=1S/C19H21N7O/c27-16-7-2-1-4-12-11-20-26-17(12)24-18(25-19(26)23-13-8-9-13)22-15-6-3-5-14(10-15)21-16/h3,5-6,10-11,13H,1-2,4,7-9H2,(H,21,27)(H2,22,23,24,25) | 定義日: | 2007-11-20 | 最終更新日: | 2011-06-04 | 識別子(ID): | 19-(cyclopropylamino)-4,6,7,15-tetrahydro-5H-16,1-(azenometheno)-10,14-(metheno)pyrazolo[4,3-o][1,3,9]triazacyclohexadecin-8(9H)-one |
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![7HI 7HI](https://data.pdbj.org/pdbjplus/data/cc/svg/7HI.svg) | 7HI | 表記: | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid | 組成式: | C31 H38 N2 O5 | SMILES: | O=C(O)CC(O)CC(O)CCn1c(c(c2c1CCCCC2)C(=O)Nc4ccc(c3ccccc3)cc4)CC | InChi: | InChI=1S/C31H38N2O5/c1-2-27-30(31(38)32-23-15-13-22(14-16-23)21-9-5-3-6-10-21)26-11-7-4-8-12-28(26)33(27)18-17-24(34)19-25(35)20-29(36)37/h3,5-6,9-10,13-16,24-25,34-35H,2,4,7-8,11-12,17-20H2,1H3,(H,32,38)(H,36,37)/t24-,25-/m1/s1 | 定義日: | 2008-02-27 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid |
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![P26 P26](https://data.pdbj.org/pdbjplus/data/cc/svg/P26.svg) | P26 | 表記: | 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid | 組成式: | C23 H26 O4 | SMILES: | O=C(O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)C(C)(C)CC4(C)C | InChi: | InChI=1S/C23H26O4/c1-21(2)14-22(3,4)19-13-17(9-10-18(19)21)23(26-11-12-27-23)16-7-5-15(6-8-16)20(24)25/h5-10,13H,11-12,14H2,1-4H3,(H,24,25) | 定義日: | 2009-01-21 | 最終更新日: | 2011-06-04 | 識別子(ID): | 4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid |
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![P2N P2N](https://data.pdbj.org/pdbjplus/data/cc/svg/P2N.svg) | P2N | 表記: | (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE | 組成式: | C17 H19 Cl O5 | SMILES: | O=C1OCCC=CCCCCC(=O)Cc2c1c(O)cc(O)c2Cl | InChi: | InChI=1S/C17H19ClO5/c18-16-12-9-11(19)7-5-3-1-2-4-6-8-23-17(22)15(12)13(20)10-14(16)21/h2,4,10,20-21H,1,3,5-9H2/b4-2+ | 定義日: | 2006-03-02 | 最終更新日: | 2011-06-04 | 識別子(ID): | (5E)-13-chloro-14,16-dihydroxy-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione |
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![P2U P2U](https://data.pdbj.org/pdbjplus/data/cc/svg/P2U.svg) | P2U | 表記: | 2'-DEOXY-PSEUDOURIDINE-5'MONOPHOSPHATE | 組成式: | C9 H13 N2 O8 P | SMILES: | O=P(OCC2OC(C1=CNC(=O)NC1=O)CC2O)(O)O | InChi: | InChI=1S/C9H13N2O8P/c12-5-1-6(4-2-10-9(14)11-8(4)13)19-7(5)3-18-20(15,16)17/h2,5-7,12H,1,3H2,(H2,15,16,17)(H2,10,11,13,14)/t5-,6+,7+/m0/s1 | 定義日: | 2000-03-23 | 最終更新日: | 2011-06-04 | 識別子(ID): | (1R)-1,4-anhydro-2-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-erythro-pentitol |
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![AGP AGP](https://data.pdbj.org/pdbjplus/data/cc/svg/AGP.svg) | AGP | 表記: | 2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATE | 組成式: | C6 H16 N O8 P | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(N)CO | InChi: | InChI=1S/C6H16NO8P/c7-3(1-8)5(10)6(11)4(9)2-15-16(12,13)14/h3-6,8-11H,1-2,7H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2-amino-2-deoxy-6-O-phosphono-D-glucitol |
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![AIF AIF](https://data.pdbj.org/pdbjplus/data/cc/svg/AIF.svg) | AIF | 表記: | [(2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-3H-pyrimidin-4-yl)imino]-2,3,4-trihydroxy-pentyl] dihydrogen phosphate | 組成式: | C9 H15 N4 O9 P | SMILES: | O=C1NC(/N=C/C(O)C(O)C(O)COP(=O)(O)O)=C(C(=O)N1)N | InChi: | InChI=1S/C9H15N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h1,3-4,6,14-16H,2,10H2,(H2,19,20,21)(H2,12,13,17,18)/b11-1+/t3-,4-,6+/m1/s1 | 定義日: | 2008-10-22 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R,3S,4R,5E)-5-[(5-amino-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)imino]-2,3,4-trihydroxypentyl dihydrogen phosphate (non-preferred name) |
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![AIL AIL](https://data.pdbj.org/pdbjplus/data/cc/svg/AIL.svg) | AIL | 表記: | N-{[(3S,5S)-5-(1,3-THIAZOLIDIN-3-YLCARBONYL)PYRROLIDIN-3-YL]METHYL}-1,3-THIAZOLE-4-CARBOXAMIDE | 組成式: | C13 H18 N4 O2 S2 | SMILES: | O=C(N1CSCC1)C3NCC(CNC(=O)c2ncsc2)C3 | InChi: | InChI=1S/C13H18N4O2S2/c18-12(11-6-21-7-16-11)15-5-9-3-10(14-4-9)13(19)17-1-2-20-8-17/h6-7,9-10,14H,1-5,8H2,(H,15,18)/t9-,10-/m0/s1 | 定義日: | 2007-01-18 | 最終更新日: | 2011-06-04 | 識別子(ID): | N-{[(3S,5S)-5-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-3-yl]methyl}-1,3-thiazole-4-carboxamide |
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![008 008](https://data.pdbj.org/pdbjplus/data/cc/svg/008.svg) | 008 | 表記: | (S)-2-[(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE | 組成式: | 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 | 定義日: | 2005-06-09 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3S)-2-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
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![00W 00W](https://data.pdbj.org/pdbjplus/data/cc/svg/00W.svg) | 00W | 表記: | 3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-L-erythro-hexonic acid | 組成式: | C7 H16 N4 O3 | SMILES: | O=C(O)C(O)C(N)CCCNC(=[N@H])N | InChi: | InChI=1S/C7H16N4O3/c8-4(5(12)6(13)14)2-1-3-11-7(9)10/h4-5,12H,1-3,8H2,(H,13,14)(H4,9,10,11)/t4-,5-/m0/s1 | 定義日: | 2010-11-12 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3-amino-6-carbamimidamido-3,4,5,6-tetradeoxy-L-erythro-hexonic acid |
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![01A 01A](https://data.pdbj.org/pdbjplus/data/cc/svg/01A.svg) | 01A | 表記: | 4-Chlorophenacyl-coenzyme A | 組成式: | C29 H41 Cl N7 O17 P3 S | SMILES: | Clc1ccc(cc1)C(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O | InChi: | InChI=1S/C29H41ClN7O17P3S/c1-29(2,24(41)27(42)33-8-7-20(39)32-9-10-58-12-18(38)16-3-5-17(30)6-4-16)13-51-57(48,49)54-56(46,47)50-11-19-23(53-55(43,44)45)22(40)28(52-19)37-15-36-21-25(31)34-14-35-26(21)37/h3-6,14-15,19,22-24,28,40-41H,7-13H2,1-2H3,(H,32,39)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t19-,22-,23-,24+,28-/m1/s1 | 定義日: | 2008-04-28 | 最終更新日: | 2011-06-04 | 識別子(ID): | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-4-({3-[(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name) |
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![01G 01G](https://data.pdbj.org/pdbjplus/data/cc/svg/01G.svg) | 01G | 表記: | 8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate) | 組成式: | C14 H23 N6 O15 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2c(nc1c2N=C(N)NC1=O)N3CCOCC3)C(O)C4O | InChi: | InChI=1S/C14H23N6O15P3/c15-13-17-10-7(11(23)18-13)16-14(19-1-3-31-4-2-19)20(10)12-9(22)8(21)6(33-12)5-32-37(27,28)35-38(29,30)34-36(24,25)26/h6,8-9,12,21-22H,1-5H2,(H,27,28)(H,29,30)(H2,24,25,26)(H3,15,17,18,23)/t6-,8-,9-,12-/m1/s1 | 定義日: | 2007-09-18 | 最終更新日: | 2011-06-04 | 識別子(ID): | 8-morpholin-4-ylguanosine 5'-(tetrahydrogen triphosphate) |
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![ALF ALF](https://data.pdbj.org/pdbjplus/data/cc/svg/ALF.svg) | ALF | 表記: | TETRAFLUOROALUMINATE ION | 組成式: | Al F4 | SMILES: | F[Al-](F)(F)F | InChi: | InChI=1S/Al.4FH/h | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | tetrafluoroaluminate(1-) |
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![AM3 AM3](https://data.pdbj.org/pdbjplus/data/cc/svg/AM3.svg) | AM3 | 表記: | (3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol | 組成式: | C15 H28 N2 O5 | SMILES: | N(=C1OCC2N1C(O)C(O)C(O)C2O)CCCCCCCC | InChi: | InChI=1S/C15H28N2O5/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11+,12+,13-,14+/m1/s1 | 定義日: | 2009-04-07 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3Z,5S,6R,7S,8S,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol |
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![AMF AMF](https://data.pdbj.org/pdbjplus/data/cc/svg/AMF.svg) | AMF | 表記: | (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol | 組成式: | C15 H28 N2 O4 S | SMILES: | N(=C1SCC2N1C(O)C(O)C(O)C2O)CCCCCCCC | InChi: | InChI=1S/C15H28N2O4S/c1-2-3-4-5-6-7-8-16-15-17-10(9-22-15)11(18)12(19)13(20)14(17)21/h10-14,18-21H,2-9H2,1H3/b16-15-/t10-,11-,12+,13-,14+/m1/s1 | 定義日: | 2009-04-07 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol |
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![AMI AMI](https://data.pdbj.org/pdbjplus/data/cc/svg/AMI.svg) | AMI | 表記: | ALLOSAMIZOLINE | 組成式: | C9 H16 N2 O4 | SMILES: | N1=C(OC2C1C(O)C(O)C2CO)N(C)C | InChi: | InChI=1S/C9H16N2O4/c1-11(2)9-10-5-7(14)6(13)4(3-12)8(5)15-9/h4-8,12-14H,3H2,1-2H3/t4-,5-,6-,7-,8+/m1/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3aR,4R,5R,6R,6aS)-2-(dimethylamino)-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazole-4,5-diol |
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![AMX AMX](https://data.pdbj.org/pdbjplus/data/cc/svg/AMX.svg) | AMX | 表記: | AMIDOCARBOXYMETHYLDETHIA COENZYME *A | 組成式: | C23 H39 N8 O17 P3 | SMILES: | O=C(N)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/C23H39N8O17P3/c1-23(2,18(35)21(36)27-7-5-14(33)26-6-3-4-13(24)32)9-45-51(42,43)48-50(40,41)44-8-12-17(47-49(37,38)39)16(34)22(46-12)31-11-30-15-19(25)28-10-29-20(15)31/h10-12,16-18,22,34-35H,3-9H2,1-2H3,(H2,24,32)(H,26,33)(H,27,36)(H,40,41)(H,42,43)(H2,25,28,29)(H2,37,38,39)/t12-,16-,17-,18+,22-/m1/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3R)-4-({3-[(4-amino-4-oxobutyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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![ANT ANT](https://data.pdbj.org/pdbjplus/data/cc/svg/ANT.svg) | ANT | 表記: | ANTHRAMYCIN | 組成式: | C16 H17 N3 O4 | SMILES: | O=C(N)C=CC3=CN2C(=O)c1c(c(O)c(cc1)C)NC(O)C2C3 | InChi: | InChI=1S/C16H17N3O4/c1-8-2-4-10-13(14(8)21)18-15(22)11-6-9(3-5-12(17)20)7-19(11)16(10)23/h2-5,7,11,15,18,21-22H,6H2,1H3,(H2,17,20)/b5-3+/t11-,15-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2E)-3-[(11S,11aS)-9,11-dihydroxy-8-methyl-5-oxo-5,10,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]prop-2-enamide |
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