![B93 B93](https://data.pdbj.org/pdbjplus/data/cc/svg/B93.svg) | B93 | 表記: | (3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid | 組成式: | C29 H35 N7 O7 | SMILES: | CC(=O)[CH](CC(O)=O)NC(=O)[CH]1C=C(CC2CCCCC2)CN3N1C(=O)N(CCNC(=O)c4ccc5[nH]cnc5c4)C3=O | InChi: | InChI=1S/C29H35N7O7/c1-17(37)22(14-25(38)39)33-27(41)24-12-19(11-18-5-3-2-4-6-18)15-35-28(42)34(29(43)36(24)35)10-9-30-26(40)20-7-8-21-23(13-20)32-16-31-21/h7-8,12-13,16,18,22,24H,2-6,9-11,14-15H2,1H3,(H,30,40)(H,31,32)(H,33,41)(H,38,39)/t22-,24-/m0/s1 | 定義日: | 2009-11-05 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3S)-3-[[(8S)-2-[2-(1H-benzimidazol-5-ylcarbonylamino)ethyl]-6-(cyclohexylmethyl)-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-8-yl]carbonylamino]-4-oxo-pentanoic acid |
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![B94 B94](https://data.pdbj.org/pdbjplus/data/cc/svg/B94.svg) | B94 | 表記: | (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid | 組成式: | C26 H30 Cl N5 O9 | SMILES: | CC(=O)[CH](CC(O)=O)NC(=O)[CH]1C=C[CH](CCNC(=O)Cc2ccc(Cl)cc2)N3N1C(=O)N(CCCC(O)=O)C3=O | InChi: | InChI=1S/C26H30ClN5O9/c1-15(33)19(14-23(37)38)29-24(39)20-9-8-18(10-11-28-21(34)13-16-4-6-17(27)7-5-16)31-25(40)30(26(41)32(20)31)12-2-3-22(35)36/h4-9,18-20H,2-3,10-14H2,1H3,(H,28,34)(H,29,39)(H,35,36)(H,37,38)/t18-,19-,20-/m0/s1 | 定義日: | 2009-11-05 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3S)-3-[[(5R,8S)-5-[2-[2-(4-chlorophenyl)ethanoylamino]ethyl]-2-(4-hydroxy-4-oxo-butyl)-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazin-8-yl]carbonylamino]-4-oxo-pentanoic acid |
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![B97 B97](https://data.pdbj.org/pdbjplus/data/cc/svg/B97.svg) | B97 | 表記: | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one | 組成式: | C21 H18 N4 O S | SMILES: | O=C3NC(CNc2c4c1ccc(nc1ccc4sc23)c5ccc(nc5)C)C | InChi: | InChI=1S/C21H18N4OS/c1-11-3-4-13(10-22-11)15-6-5-14-16(25-15)7-8-17-18(14)19-20(27-17)21(26)24-12(2)9-23-19/h3-8,10,12,23H,9H2,1-2H3,(H,24,26)/t12-/m1/s1 | 定義日: | 2009-01-28 | 最終更新日: | 2011-06-04 | 識別子(ID): | (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one |
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![B98 B98](https://data.pdbj.org/pdbjplus/data/cc/svg/B98.svg) | B98 | 表記: | (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one | 組成式: | C13 H15 N3 O2 S | SMILES: | O=C2NC(CNc1c3cc(OC)ccc3sc12)CN | InChi: | InChI=1S/C13H15N3O2S/c1-18-8-2-3-10-9(4-8)11-12(19-10)13(17)16-7(5-14)6-15-11/h2-4,7,15H,5-6,14H2,1H3,(H,16,17)/t7-/m1/s1 | 定義日: | 2009-01-28 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one |
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![553 553](https://data.pdbj.org/pdbjplus/data/cc/svg/553.svg) | 553 | 表記: | (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one | 組成式: | C13 H14 F N5 O | SMILES: | O=C2c1cc(nc1C(CN2)CCF)c3nc(ncc3)N | InChi: | InChI=1S/C13H14FN5O/c14-3-1-7-6-17-12(20)8-5-10(18-11(7)8)9-2-4-16-13(15)19-9/h2,4-5,7,18H,1,3,6H2,(H,17,20)(H2,15,16,19)/t7-/m0/s1 | 定義日: | 2008-07-18 | 最終更新日: | 2011-06-04 | 識別子(ID): | (7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one |
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![EXO EXO](https://data.pdbj.org/pdbjplus/data/cc/svg/EXO.svg) | EXO | 表記: | (1R,2S,3S,4R)-5-METHYLENECYCLOHEXANE-1,2,3,4-TETRAOL | 組成式: | C7 H12 O4 | SMILES: | OC1CC(=C)/C(O)C(O)C1O | InChi: | InChI=1S/C7H12O4/c1-3-2-4(8)6(10)7(11)5(3)9/h4-11H,1-2H2/t4-,5-,6+,7+/m1/s1 | 定義日: | 2006-04-28 | 最終更新日: | 2011-06-04 | 識別子(ID): | (1R,2S,3S,4R)-5-methylidenecyclohexane-1,2,3,4-tetrol |
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![568 568](https://data.pdbj.org/pdbjplus/data/cc/svg/568.svg) | 568 | 表記: | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL] | 組成式: | C34 H40 N2 O9 | SMILES: | O=C(NC1CC(OC1)CO)C(OCc2ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4ccccc4CC5O | InChi: | InChI=1S/C34H40N2O9/c37-17-25-16-24(20-43-25)35-33(41)31(44-18-21-9-3-1-4-10-21)29(39)30(40)32(45-19-22-11-5-2-6-12-22)34(42)36-28-26-14-8-7-13-23(26)15-27(28)38/h1-14,24-25,27-32,37-40H,15-20H2,(H,35,41)(H,36,42)/t24-,25-,27+,28-,29+,30+,31+,32+/m0/s1 | 定義日: | 2004-11-02 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-N'-[(3S,5S)-5-(hydroxymethyl)tetrahydrofuran-3-yl]hexanediamide (non-preferred name) |
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![599 599](https://data.pdbj.org/pdbjplus/data/cc/svg/599.svg) | 599 | 表記: | 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol | 組成式: | C29 H30 Cl2 N4 O3 | SMILES: | Clc5ccc(C#Cc1c(Cl)ccc(c1)c2nn(c3c2CN(C(=O)CO)CC3)CCCN4CCOCC4)cc5 | InChi: | InChI=1S/C29H30Cl2N4O3/c30-24-7-3-21(4-8-24)2-5-22-18-23(6-9-26(22)31)29-25-19-34(28(37)20-36)13-10-27(25)35(32-29)12-1-11-33-14-16-38-17-15-33/h3-4,6-9,18,36H,1,10-17,19-20H2 | 定義日: | 2009-07-23 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-(3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-hydroxyethanone |
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![F10 F10](https://data.pdbj.org/pdbjplus/data/cc/svg/F10.svg) | F10 | 表記: | 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE | 組成式: | C18 H14 F N3 O | SMILES: | Fc1ccccc1c4nccc(c3cc2C(=O)NCCc2n3)c4 | InChi: | InChI=1S/C18H14FN3O/c19-14-4-2-1-3-12(14)17-9-11(5-7-20-17)16-10-13-15(22-16)6-8-21-18(13)23/h1-5,7,9-10,22H,6,8H2,(H,21,23) | 定義日: | 2007-04-18 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2-[2-(2-fluorophenyl)pyridin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one |
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![F11 F11](https://data.pdbj.org/pdbjplus/data/cc/svg/F11.svg) | F11 | 表記: | N,N'-DI-1,2,3,4-TETRAHYDROACRIDIN-9-YLPENTANE-1,5-DIAMINE | 組成式: | C31 H36 N4 | SMILES: | n2c1c(cccc1)c(c3c2CCCC3)NCCCCCNc4c6c(nc5c4CCCC5)cccc6 | InChi: | InChI=1S/C31H36N4/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35) | 定義日: | 2006-05-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | N,N'-di-1,2,3,4-tetrahydroacridin-9-ylpentane-1,5-diamine |
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![F13 F13](https://data.pdbj.org/pdbjplus/data/cc/svg/F13.svg) | F13 | 表記: | 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide | 組成式: | C14 H10 F N5 O | SMILES: | Fc1cccc(c1)C(=O)Nc2cccc(c2)c3nnnn3 | InChi: | InChI=1S/C14H10FN5O/c15-11-5-1-4-10(7-11)14(21)16-12-6-2-3-9(8-12)13-17-19-20-18-13/h1-8H,(H,16,21)(H,17,18,19,20) | 定義日: | 2009-02-03 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide |
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![F2P F2P](https://data.pdbj.org/pdbjplus/data/cc/svg/F2P.svg) | F2P | 表記: | 1,6-DI-O-PHOSPHONO-D-ALLITOL | 組成式: | C6 H16 O12 P2 | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(O)COP(=O)(O)O | InChi: | InChI=1S/C6H16O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,4+,5-,6+ | 定義日: | 2004-09-27 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1,6-di-O-phosphono-D-allitol |
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![F8A F8A](https://data.pdbj.org/pdbjplus/data/cc/svg/F8A.svg) | F8A | 表記: | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid | 組成式: | C21 H18 F3 N O2 | SMILES: | FC(F)(F)c1ccccc1Cn3c2c(C(=O)O)cccc2c4c3CCCC4 | InChi: | InChI=1S/C21H18F3NO2/c22-21(23,24)17-10-3-1-6-13(17)12-25-18-11-4-2-7-14(18)15-8-5-9-16(19(15)25)20(26)27/h1,3,5-6,8-10H,2,4,7,11-12H2,(H,26,27) | 定義日: | 2009-01-13 | 最終更新日: | 2011-06-04 | 識別子(ID): | 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid |
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![GVF GVF](https://data.pdbj.org/pdbjplus/data/cc/svg/GVF.svg) | GVF | 表記: | BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)] | 組成式: | C6 H10 O16 P4 | SMILES: | O=P(Oc1c(OP(=O)(O)O)ccc(OP(=O)(O)O)c1OP(=O)(O)O)(O)O | InChi: | InChI=1S/C6H10O16P4/c7-23(8,9)19-3-1-2-4(20-24(10,11)12)6(22-26(16,17)18)5(3)21-25(13,14)15/h1-2H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18) | 定義日: | 2007-03-12 | 最終更新日: | 2011-06-04 | 識別子(ID): | benzene-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)] |
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![GY3 GY3](https://data.pdbj.org/pdbjplus/data/cc/svg/GY3.svg) | GY3 | 表記: | 8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione | 組成式: | C18 H22 N2 O3 | SMILES: | O=C2N3N(C(=O)C2c1c(C=C)cc(cc1CC)C)CCOCC3 | InChi: | InChI=1S/C18H22N2O3/c1-4-13-10-12(3)11-14(5-2)15(13)16-17(21)19-6-8-23-9-7-20(19)18(16)22/h4,10-11,16H,1,5-9H2,2-3H3 | 定義日: | 2010-11-05 | 最終更新日: | 2011-06-04 | 識別子(ID): | 8-(2-ethenyl-6-ethyl-4-methylphenyl)tetrahydro-7H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9(8H)-dione |
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![GYM GYM](https://data.pdbj.org/pdbjplus/data/cc/svg/GYM.svg) | GYM | 表記: | (2R)-2,3-dihydroxypropyl tetradecanoate | 組成式: | C17 H34 O4 | SMILES: | O=C(OCC(O)CO)CCCCCCCCCCCCC | InChi: | InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-15-16(19)14-18/h16,18-19H,2-15H2,1H3/t16-/m0/s1 | 定義日: | 2009-04-02 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R)-2,3-dihydroxypropyl tetradecanoate |
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![GYN GYN](https://data.pdbj.org/pdbjplus/data/cc/svg/GYN.svg) | GYN | 表記: | GYMNODIMINE A | 組成式: | C32 H47 N O4 | SMILES: | O=C5OC(C3=C(C2C=C(C(O)CCC4OC(C(=CCCC1=NCCCC12CC3)C)C(C)C4)C)C)CC5C | InChi: | InChI=1S/C32H47NO4/c1-19-8-6-9-29-32(13-7-15-33-29)14-12-25(28-18-22(4)31(35)37-28)23(5)26(32)17-20(2)27(34)11-10-24-16-21(3)30(19)36-24/h8,17,21-22,24,26-28,30,34H,6-7,9-16,18H2,1-5H3/b19-8+,20-17+/t21-,22+,24+,26+,27+,28+,30+,32+/m1/s1 | 定義日: | 2009-12-04 | 最終更新日: | 2011-06-04 | 識別子(ID): | (3S,5S)-5-[(4aR,8aS,9E,11S,14S,16R,17R,18E)-11-hydroxy-8,10,16,18-tetramethyl-3,4,5,6,8a,11,12,13,14,15,16,17,20,21-tetradecahydro-2H-14,17-epoxybenzo[2,3]cyclohexadeca[1,2-b]pyridin-7-yl]-3-methyldihydrofuran-2(3H)-one |
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![GYT GYT](https://data.pdbj.org/pdbjplus/data/cc/svg/GYT.svg) | GYT | 表記: | BIS-(2-ACETAMIDO-2-DEOXY-ALPHA-D-GLUCOPYRANOSYLOXYCARBONYL)-4,7,10-TRIOXA-1,13-TRIDECANEDIAMINE | 組成式: | C28 H50 N4 O17 | SMILES: | O=C(OC1OC(C(O)C(O)C1NC(=O)C)CO)NCCCOCCOCCOCCCNC(=O)OC2OC(CO)C(O)C(O)C2NC(=O)C | InChi: | InChI=1S/C28H50N4O17/c1-15(35)31-19-23(39)21(37)17(13-33)46-25(19)48-27(41)29-5-3-7-43-9-11-45-12-10-44-8-4-6-30-28(42)49-26-20(32-16(2)36)24(40)22(38)18(14-34)47-26/h17-26,33-34,37-40H,3-14H2,1-2H3,(H,29,41)(H,30,42)(H,31,35)(H,32,36)/t17-,18-,19-,20-,21-,22-,23-,24-,25-,26-/m1/s1 | 定義日: | 2007-03-26 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (15-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-15-oxo-4,7,10-trioxa-14-azapentadec-1-yl)carbamate (non-preferred name) |
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![GZ2 GZ2](https://data.pdbj.org/pdbjplus/data/cc/svg/GZ2.svg) | GZ2 | 表記: | 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one | 組成式: | C7 H9 N5 O | SMILES: | O=C2C=C(Nc1nnnn1)CCC2 | InChi: | InChI=1S/C7H9N5O/c13-6-3-1-2-5(4-6)8-7-9-11-12-10-7/h4H,1-3H2,(H2,8,9,10,11,12) | 定義日: | 2009-02-03 | 最終更新日: | 2011-06-04 | 識別子(ID): | 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one |
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![H0E H0E](https://data.pdbj.org/pdbjplus/data/cc/svg/H0E.svg) | H0E | 表記: | (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol | 組成式: | C24 H29 N3 O4 S | SMILES: | O=S(=O)(c3ccc2N1C(=NCC(C)(C)C1)C(O)c2c3)N5C(COc4ccccc4)CCC5 | InChi: | InChI=1S/C24H29N3O4S/c1-24(2)15-25-23-22(28)20-13-19(10-11-21(20)26(23)16-24)32(29,30)27-12-6-7-17(27)14-31-18-8-4-3-5-9-18/h3-5,8-11,13,17,22,28H,6-7,12,14-16H2,1-2H3/t17-,22-/m0/s1 | 定義日: | 2009-04-10 | 最終更新日: | 2011-06-04 | 識別子(ID): | (10S)-3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2,3,4,10-tetrahydropyrimido[1,2-a]indol-10-ol |
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![5QC 5QC](https://data.pdbj.org/pdbjplus/data/cc/svg/5QC.svg) | 5QC | 表記: | 1-(3-AMINO-1,2-BENZISOXAZOL-5-YL)-6-(2'-{[(3R)-3-HYDROXYPYRROLIDIN-1-YL]METHYL}BIPHENYL-4-YL)-3-(TRIFLUOROMETHYL)-1,4,5,6-TETRAHYDRO-7H-PYRAZOLO[3,4-C]PYRIDIN-7-ONE | 組成式: | C31 H27 F3 N6 O3 | SMILES: | FC(F)(F)c7nn(c2cc1c(onc1N)cc2)c6C(=O)N(c5ccc(c3ccccc3CN4CCC(O)C4)cc5)CCc67 | InChi: | InChI=1S/C31H27F3N6O3/c32-31(33,34)28-24-12-14-39(30(42)27(24)40(36-28)21-9-10-26-25(15-21)29(35)37-43-26)20-7-5-18(6-8-20)23-4-2-1-3-19(23)16-38-13-11-22(41)17-38/h1-10,15,22,41H,11-14,16-17H2,(H2,35,37)/t22-/m1/s1 | 定義日: | 2006-04-06 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-(3-amino-1,2-benzisoxazol-5-yl)-6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one |
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![H4B H4B](https://data.pdbj.org/pdbjplus/data/cc/svg/H4B.svg) | H4B | 表記: | 5,6,7,8-TETRAHYDROBIOPTERIN | 組成式: | C9 H15 N5 O3 | SMILES: | O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C | InChi: | InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (6R)-2-amino-6-[(1R,2S)-1,2-dihydroxypropyl]-5,6,7,8-tetrahydropteridin-4(3H)-one |
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![H4P H4P](https://data.pdbj.org/pdbjplus/data/cc/svg/H4P.svg) | H4P | 表記: | 1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-L-THREO-HEXITOL | 組成式: | C7 H19 N O11 P2 | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)C(O)CNCP(=O)(O)O | InChi: | InChI=1S/C7H19NO11P2/c9-4(1-8-3-20(13,14)15)6(11)7(12)5(10)2-19-21(16,17)18/h4-12H,1-3H2,(H2,13,14,15)(H2,16,17,18)/t4-,5-,6-,7-/m1/s1 | 定義日: | 2003-05-19 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-deoxy-6-O-phosphono-1-[(phosphonomethyl)amino]-D-mannitol |
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![H4Z H4Z](https://data.pdbj.org/pdbjplus/data/cc/svg/H4Z.svg) | H4Z | 表記: | 5-(4-{[1-(2-AMINO-5-FORMYL-7-METHYL-4-OXO-3,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL)ETHYL]AMINO}PHENYL)-5-DEOXY-1-O-{5-O-[(1,3-DICARBOXYPROPOXY)(HYDROXY)PHOSPHORYL]PENTOFURANOSYL}PENTITOL | 組成式: | C31 H45 N6 O17 P | SMILES: | O=C2NC(=NC=1NC(C)C(N(C=O)C=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C)N | InChi: | InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14?,17?,18?,19?,20?,22+,24?,25?,26?,30?/m1/s1 | 定義日: | 2006-02-10 | 最終更新日: | 2011-06-04 | 識別子(ID): | 1-[4-({(1R)-1-[(6S,7S)-2-amino-5-formyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(1,3-dicarboxypropoxy)(hydroxy)phosphoryl]pentofuranosyl}pentitol |
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![5TN 5TN](https://data.pdbj.org/pdbjplus/data/cc/svg/5TN.svg) | 5TN | 表記: | (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL-3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PHENYL]ACRYLIC ACID | 組成式: | C26 H32 O4 | SMILES: | O=C(O)C=Cc3cc(c1c(OCCC)cc2c(c1)C(CCC2(C)C)(C)C)c(O)cc3 | InChi: | InChI=1S/C26H32O4/c1-6-13-30-23-16-21-20(25(2,3)11-12-26(21,4)5)15-19(23)18-14-17(7-9-22(18)27)8-10-24(28)29/h7-10,14-16,27H,6,11-13H2,1-5H3,(H,28,29)/b10-8+ | 定義日: | 2007-03-27 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2E)-3-[4-hydroxy-3-(5,5,8,8-tetramethyl-3-propoxy-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid |
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