![PN4 PN4](https://data.pdbj.org/pdbjplus/data/cc/svg/PN4.svg) | PN4 | 表記: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide | 組成式: | C14 H28 N2 O4 | SMILES: | O=C(NCCC(=O)NCCCCC)C(O)C(C)(C)CO | InChi: | InChI=1S/C14H28N2O4/c1-4-5-6-8-15-11(18)7-9-16-13(20)12(19)14(2,3)10-17/h12,17,19H,4-10H2,1-3H3,(H,15,18)(H,16,20)/t12-/m0/s1 | 別名: | N-Pentylpantothenamide | 定義日: | 2012-05-24 | 最終更新日: | 2021-03-01 | 公開日: | 2013-04-10 | 識別子(ID): | (2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(pentylamino)propyl]butanamide |
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![PNR PNR](https://data.pdbj.org/pdbjplus/data/cc/svg/PNR.svg) | PNR | 表記: | 4-nitrophenyl hexadecanoate | 組成式: | C22 H35 N O4 | SMILES: | O=C(Oc1ccc(cc1)[N+]([O-])=O)CCCCCCCCCCCCCCC | InChi: | InChI=1S/C22H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(24)27-21-18-16-20(17-19-21)23(25)26/h16-19H,2-15H2,1H3 | 別名: | paranitrophenyl palmitate | 定義日: | 2014-05-08 | 最終更新日: | 2021-03-01 | 公開日: | 2014-05-21 | 識別子(ID): | 4-nitrophenyl hexadecanoate |
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![BHL BHL](https://data.pdbj.org/pdbjplus/data/cc/svg/BHL.svg) | BHL | 表記: | 6-BROMOHEXAN-1-OL | 組成式: | C6 H13 Br O | SMILES: | BrCCCCCCO | InChi: | InChI=1S/C6H13BrO/c7-5-3-1-2-4-6-8/h8H,1-6H2 | 別名: | 6-BROMOHEXANOL | 定義日: | 2004-11-01 | 最終更新日: | 2021-03-01 | 識別子(ID): | 6-bromohexan-1-ol |
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![BHT BHT](https://data.pdbj.org/pdbjplus/data/cc/svg/BHT.svg) | BHT | 表記: | N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM | 組成式: | C37 H30 N3 O9 S3 | SMILES: | O=S(=O)(O)c1cccc(c1)Nc2ccc(cc2)C(=C4/C=C/C(=[NH+]c3ccc(cc3)S(=O)(=O)O)C=C4)c6ccc(Nc5cccc(c5)S(=O)(=O)O)cc6 | InChi: | InChI=1S/C37H29N3O9S3/c41-50(42,43)34-21-19-31(20-22-34)38-28-13-7-25(8-14-28)37(26-9-15-29(16-10-26)39-32-3-1-5-35(23-32)51(44,45)46)27-11-17-30(18-12-27)40-33-4-2-6-36(24-33)52(47,48)49/h1-24,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)/p+1 | 別名: | BLUE HT | 定義日: | 2005-06-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[4-(bis{4-[(3-sulfophenyl)amino]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene]-4-sulfoanilinium |
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![BHU BHU](https://data.pdbj.org/pdbjplus/data/cc/svg/BHU.svg) | BHU | 表記: | [[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid | 組成式: | C5 H12 B N O3 S | SMILES: | C[CH](CS)C(=O)NCB(O)O | InChi: | InChI=1S/C5H12BNO3S/c1-4(2-11)5(8)7-3-6(9)10/h4,9-11H,2-3H2,1H3,(H,7,8)/t4-/m1/s1 | 別名: | (S)-((3-mercapto-2-methylpropanamido)methyl)boronic acid | 定義日: | 2019-02-01 | 最終更新日: | 2021-03-01 | 公開日: | 2019-07-17 | 識別子(ID): | [[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid |
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![POH POH](https://data.pdbj.org/pdbjplus/data/cc/svg/POH.svg) | POH | 表記: | (1Z,4Z,9Z,15Z)-5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-21,23-dihydroporphyrin | 組成式: | C44 H38 N8 | SMILES: | n5c6c(c1nc(cc1)c(c2cc[n+](cc2)C)c3nc(C=C3)c(c4cc[n+](cc4)C)c8ccc(c(c5C=C6)c7cc[n+](cc7)C)n8)c9cc[n+](cc9)C | InChi: | InChI=1S/C44H37N8/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31/h5-28H,1-4H3,(H,45,46,47,48)/q+3/p+1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- | 別名: | TMPyP4 | 定義日: | 2005-07-15 | 最終更新日: | 2021-03-01 | 識別子(ID): | 4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetrakis(1-methylpyridinium) |
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![BIA BIA](https://data.pdbj.org/pdbjplus/data/cc/svg/BIA.svg) | BIA | 表記: | 1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE | 組成式: | C20 H20 F3 N3 O5 | SMILES: | [O-][N+](=O)c3c(O)c(O)cc(C(=O)CCN2CCN(c1cc(ccc1)C(F)(F)F)CC2)c3 | InChi: | InChI=1S/C20H20F3N3O5/c21-20(22,23)14-2-1-3-15(12-14)25-8-6-24(7-9-25)5-4-17(27)13-10-16(26(30)31)19(29)18(28)11-13/h1-3,10-12,28-29H,4-9H2 | 別名: | BIA 3-335 | 定義日: | 2002-07-12 | 最終更新日: | 2021-03-01 | 識別子(ID): | 1-(3,4-dihydroxy-5-nitrophenyl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propan-1-one |
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![BIE BIE](https://data.pdbj.org/pdbjplus/data/cc/svg/BIE.svg) | BIE | 表記: | (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE | 組成式: | C13 H9 N O5 | SMILES: | [O-][N+](=O)c2c(C(=O)c1ccccc1)ccc(O)c2O | InChi: | InChI=1S/C13H9NO5/c15-10-7-6-9(11(13(10)17)14(18)19)12(16)8-4-2-1-3-5-8/h1-7,15,17H | 別名: | BIA 3-335 | 定義日: | 2006-04-26 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3,4-dihydroxy-2-nitrophenyl)(phenyl)methanone |
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![BIG BIG](https://data.pdbj.org/pdbjplus/data/cc/svg/BIG.svg) | BIG | 表記: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol | 組成式: | C16 H25 N5 O S | SMILES: | S(CCCC)CC3CN(Cc2cnc1c2ncnc1N)CC3O | InChi: | InChI=1S/C16H25N5OS/c1-2-3-4-23-9-12-7-21(8-13(12)22)6-11-5-18-15-14(11)19-10-20-16(15)17/h5,10,12-13,18,22H,2-4,6-9H2,1H3,(H2,17,19,20)/t12-,13+/m1/s1 | 別名: | butylthio-DADMe-Immucillin A | 定義日: | 2008-07-10 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol |
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![POW POW](https://data.pdbj.org/pdbjplus/data/cc/svg/POW.svg) | POW | 表記: | Diperodon | 組成式: | C22 H27 N3 O4 | SMILES: | O=C(Nc1ccccc1)OC[CH](CN2CCCCC2)OC(=O)Nc3ccccc3 | InChi: | InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)/t20-/m1/s1 | 別名: | [(2~{R})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate | 定義日: | 2020-04-27 | 最終更新日: | 2021-03-01 | 公開日: | 2021-01-13 | 識別子(ID): | [(2~{R})-2-(phenylcarbamoyloxy)-3-piperidin-1-yl-propyl] ~{N}-phenylcarbamate |
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![BIV BIV](https://data.pdbj.org/pdbjplus/data/cc/svg/BIV.svg) | BIV | 表記: | 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E) | 組成式: | C32 H54 O4 | SMILES: | OC3C(=C)/C(=CC=C1/CCCC2(C)C(C(CCCC(O)(C)C)CCCC(O)(C)C)CCC12)CC(O)C3 | InChi: | InChI=1S/C32H54O4/c1-22-25(20-26(33)21-29(22)34)14-13-24-12-9-19-32(6)27(15-16-28(24)32)23(10-7-17-30(2,3)35)11-8-18-31(4,5)36/h13-14,23,26-29,33-36H,1,7-12,15-21H2,2-6H3/b24-13+,25-14-/t26-,27-,28+,29+,32-/m1/s1 | 別名: | GEMINI | 定義日: | 2006-06-20 | 最終更新日: | 2021-03-01 | 識別子(ID): | (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[5-hydroxy-1-(4-hydroxy-4-methylpentyl)-5-methylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name) |
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![PPB PPB](https://data.pdbj.org/pdbjplus/data/cc/svg/PPB.svg) | PPB | 表記: | 1-{[1-(2-AMINO-3-PHENYL-PROPIONYL)-PYRROLIDINE-2-CARBONYL]-AMINO}-2-(3-CYANO-PHENYL)-ETHANEBORONIC ACID | 組成式: | C23 H27 B N4 O4 | SMILES: | O=C(NC(B(O)O)Cc1cccc(C#N)c1)C3N(C(=O)C(N)Cc2ccccc2)CCC3 | InChi: | InChI=1S/C23H27BN4O4/c25-15-18-9-4-8-17(12-18)14-21(24(31)32)27-22(29)20-10-5-11-28(20)23(30)19(26)13-16-6-2-1-3-7-16/h1-4,6-9,12,19-21,31-32H,5,10-11,13-14,26H2,(H,27,29)/t19-,20+,21+/m1/s1 | 別名: | (D)PHE-PRO-BOROPHE(M-CN) | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | D-phenylalanyl-N-[(1R)-2-(3-cyanophenyl)-1-(dihydroxyboranyl)ethyl]-L-prolinamide |
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![PR8 PR8](https://data.pdbj.org/pdbjplus/data/cc/svg/PR8.svg) | PR8 | 表記: | 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine | 組成式: | C15 H21 N6 O8 P | SMILES: | O=P(OC(=O)C1NCCC1)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | InChi: | InChI=1S/C15H21N6O8P/c16-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(28-14)4-27-30(25,26)29-15(24)7-2-1-3-17-7/h5-8,10-11,14,17,22-23H,1-4H2,(H,25,26)(H2,16,18,19)/t7-,8+,10+,11+,14+/m0/s1 | 別名: | prolyl-adenylate | 定義日: | 2009-07-16 | 最終更新日: | 2021-03-01 | 識別子(ID): | 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine |
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![PRM PRM](https://data.pdbj.org/pdbjplus/data/cc/svg/PRM.svg) | PRM | 表記: | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM | 組成式: | C27 H34 N4 | SMILES: | c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CCC[N+](CC)(CC)C)N | InChi: | InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1 | 別名: | PROPIDIUM | 定義日: | 2002-12-11 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3,8-diamino-5-{3-[diethyl(methyl)ammonio]propyl}-6-phenylphenanthridinium |
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![PRU PRU](https://data.pdbj.org/pdbjplus/data/cc/svg/PRU.svg) | PRU | 表記: | (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid | 組成式: | C12 H18 O8 | SMILES: | O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C | InChi: | InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-,8-/m1/s1 | 別名: | Polyacrylic acid | 定義日: | 2014-08-27 | 最終更新日: | 2021-03-01 | 公開日: | 2015-06-10 | 識別子(ID): | (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid |
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![58O 58O](https://data.pdbj.org/pdbjplus/data/cc/svg/58O.svg) | 58O | 表記: | 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile | 組成式: | C24 H23 F3 N6 O S | SMILES: | c12sc(CC(F)(F)F)cc1c(ncn2)NC3CCN(CC3)Cc4c(cc5c(c4)cc(C#N)n5)OC | InChi: | InChI=1S/C24H23F3N6OS/c1-34-21-9-20-14(7-17(11-28)31-20)6-15(21)12-33-4-2-16(3-5-33)32-22-19-8-18(10-24(25,26)27)35-23(19)30-13-29-22/h6-9,13,16,31H,2-5,10,12H2,1H3,(H,29,30,32) | 別名: | MI-336 | 定義日: | 2015-08-21 | 最終更新日: | 2021-03-01 | 公開日: | 2016-03-30 | 識別子(ID): | 6-methoxy-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile |
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![PSI PSI](https://data.pdbj.org/pdbjplus/data/cc/svg/PSI.svg) | PSI | 表記: | methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate | 組成式: | C29 H47 N5 O7 | SMILES: | O=C(OC)C(NC(=O)C(NC(=O)CCC(O)C(NC(=O)C(NC(=O)C(N)C)C)Cc1ccccc1)C(C)C)C(C)C | InChi: | InChI=1S/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19-,21-,22-,24-,25-/m0/s1 | 別名: | SKF 107457 | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate |
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![591 591](https://data.pdbj.org/pdbjplus/data/cc/svg/591.svg) | 591 | 表記: | (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one | 組成式: | C19 H19 N7 O | SMILES: | O=C4N(C(=NC4(c1cn(nc1)CC)c3cccc(c2cncnc2)c3)N)C | InChi: | InChI=1S/C19H19N7O/c1-3-26-11-16(10-23-26)19(17(27)25(2)18(20)24-19)15-6-4-5-13(7-15)14-8-21-12-22-9-14/h4-12H,3H2,1-2H3,(H2,20,24)/t19-/m0/s1 | 別名: | WAY-256591 | 定義日: | 2011-06-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | (5S)-2-amino-5-(1-ethyl-1H-pyrazol-4-yl)-3-methyl-5-[3-(pyrimidin-5-yl)phenyl]-3,5-dihydro-4H-imidazol-4-one |
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![5A0 5A0](https://data.pdbj.org/pdbjplus/data/cc/svg/5A0.svg) | 5A0 | 表記: | 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine | 組成式: | C17 H21 F2 N5 S2 | SMILES: | c12ncnc(c1cc(CC(F)F)s2)N3CCN(CC3)C4=NCC(S4)(C)C | InChi: | InChI=1S/C17H21F2N5S2/c1-17(2)9-20-16(26-17)24-5-3-23(4-6-24)14-12-7-11(8-13(18)19)25-15(12)22-10-21-14/h7,10,13H,3-6,8-9H2,1-2H3 | 別名: | MI-859 | 定義日: | 2015-08-28 | 最終更新日: | 2021-03-01 | 公開日: | 2015-09-09 | 識別子(ID): | 6-(2,2-difluoroethyl)-4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine |
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![5A1 5A1](https://data.pdbj.org/pdbjplus/data/cc/svg/5A1.svg) | 5A1 | 表記: | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine | 組成式: | C17 H18 F5 N5 S2 | SMILES: | c14c(c(ncn1)N2CCN(CC2)C=3SC(C)(C)CN=3)cc(C(C(F)(F)F)(F)F)s4 | InChi: | InChI=1S/C17H18F5N5S2/c1-15(2)8-23-14(29-15)27-5-3-26(4-6-27)12-10-7-11(16(18,19)17(20,21)22)28-13(10)25-9-24-12/h7,9H,3-6,8H2,1-2H3 | 別名: | MI-273 | 定義日: | 2015-08-28 | 最終更新日: | 2021-03-01 | 公開日: | 2015-09-09 | 識別子(ID): | 4-[4-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazin-1-yl]-6-(pentafluoroethyl)thieno[2,3-d]pyrimidine |
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![5AA 5AA](https://data.pdbj.org/pdbjplus/data/cc/svg/5AA.svg) | 5AA | 表記: | N6-DIMETHYL-3'-AMINO-ADENOSINE-5'-MONOPHOSPHATE | 組成式: | C12 H19 N6 O6 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c2ncnc1N(C)C)C(O)C3N | InChi: | InChI=1S/C12H19N6O6P/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(19)7(13)6(24-12)3-23-25(20,21)22/h4-7,9,12,19H,3,13H2,1-2H3,(H2,20,21,22)/t6-,7-,9-,12-/m1/s1 | 別名: | PUROMYCIN AMINONUCLEOSIDE-5'-MONOPHOSPHATE | 定義日: | 2004-12-29 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3'-amino-3'-deoxy-N,N-dimethyladenosine 5'-(dihydrogen phosphate) |
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![5AE 5AE](https://data.pdbj.org/pdbjplus/data/cc/svg/5AE.svg) | 5AE | 表記: | 4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one | 組成式: | C8 H12 N4 O5 | SMILES: | O=C1N=C(N=CN1C2OC(C(O)C2O)CO)N | InChi: | InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1 | 別名: | 5-azacytidine | 定義日: | 2014-05-19 | 最終更新日: | 2021-03-01 | 公開日: | 2014-06-25 | 識別子(ID): | 4-amino-1-(beta-D-ribofuranosyl)-1,3,5-triazin-2(1H)-one |
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![5AL 5AL](https://data.pdbj.org/pdbjplus/data/cc/svg/5AL.svg) | 5AL | 表記: | 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine | 組成式: | C13 H19 N6 O8 P | SMILES: | O=P(OC(=O)C(N)C)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C13H19N6O8P/c1-5(14)13(22)27-28(23,24)25-2-6-8(20)9(21)12(26-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,2,14H2,1H3,(H,23,24)(H2,15,16,17)/t5-,6+,8+,9+,12+/m0/s1 | 別名: | Alanyl Adenylate | 定義日: | 2009-06-25 | 最終更新日: | 2021-03-01 | 識別子(ID): | 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine |
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![PUA PUA](https://data.pdbj.org/pdbjplus/data/cc/svg/PUA.svg) | PUA | 表記: | ADENYLATE-3'-PHOSPHATE-[[2'-DEOXY-URIDINE-5'-PHOSPHATE]-3'-PHOSPHATE] | 組成式: | C19 H27 N7 O20 P4 | SMILES: | O=C1C=CN(C(=O)N1)C5OC(COP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O)C5 | InChi: | InChI=1S/C19H27N7O20P4/c20-16-13-17(22-6-21-16)26(7-23-13)18-14(28)15(45-48(33,34)35)10(43-18)5-41-49(36,37)46-50(38,39)44-8-3-12(25-2-1-11(27)24-19(25)29)42-9(8)4-40-47(30,31)32/h1-2,6-10,12,14-15,18,28H,3-5H2,(H,36,37)(H,38,39)(H2,20,21,22)(H,24,27,29)(H2,30,31,32)(H2,33,34,35)/t8-,9+,10+,12+,14+,15+,18+/m0/s1 | 別名: | U-PI-A-PI | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (2R,3S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-[(phosphonooxy)methyl]tetrahydrofuran-3-yl dihydrogen diphosphate (non-preferred name) |
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![PUM PUM](https://data.pdbj.org/pdbjplus/data/cc/svg/PUM.svg) | PUM | 表記: | (1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol | 組成式: | C17 H26 N8 O9 | SMILES: | O=C1C(=CNC(N1)=O)C2OC(C(C2O)O)CNC(=O)C(N(O)C(=O)CN/C(N)=N)CCC(N)=O | InChi: | InChI=1S/C17H26N8O9/c18-9(26)2-1-7(25(33)10(27)5-22-16(19)20)15(31)21-4-8-11(28)12(29)13(34-8)6-3-23-17(32)24-14(6)30/h3,7-8,11-13,28-29,33H,1-2,4-5H2,(H2,18,26)(H,21,31)(H4,19,20,22)(H2,23,24,30,32)/t7-,8+,11+,12+,13-/m0/s1 | 別名: | pseudouridimycin | 定義日: | 2017-02-13 | 最終更新日: | 2021-03-01 | 公開日: | 2017-07-05 | 識別子(ID): | (1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol |
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