![U2P U2P](https://data.pdbj.org/pdbjplus/data/cc/svg/U2P.svg) | U2P | 表記: | PHOSPHORIC ACID MONO-[2-(2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-YL]
ESTER | 組成式: | C9 H13 N2 O9 P | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2OP(=O)(O)O)CO | InChi: | InChI=1S/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | 別名: | URIDINE-2'-PHOSPHATE | 定義日: | 2003-02-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2'-uridylic acid |
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![3N6 3N6](https://data.pdbj.org/pdbjplus/data/cc/svg/3N6.svg) | 3N6 | 表記: | N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3
(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide | 組成式: | C38 H47 Br2 N9 O5 | SMILES: | O=C(N2CCN(c1ccncc1)CC2)C(NC(=O)C(NC(=O)N5CCC(N4C(=O)Nc3c(cccc3)C4)CC5)Cc6cc(Br)c(O)c(Br)c6)CCCCN | InChi: | InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1 | 別名: | Olcegepant | 定義日: | 2010-06-07 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-{(2S)-6-amino-1-oxo-1-[4-(pyridin-4-yl)piperazin-1-yl]hexan-2-yl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide |
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![3NV 3NV](https://data.pdbj.org/pdbjplus/data/cc/svg/3NV.svg) | 3NV | 表記: | 4-[5-chloro-3-(1-methylethyl)-1H-pyrazol-4-yl]-N-(5-piperazin-1-ylpyridin-2-yl)pyrimidin-2-amine | 組成式: | C19 H23 Cl N8 | SMILES: | Clc4c(c1nc(ncc1)Nc3ncc(N2CCNCC2)cc3)c(nn4)C(C)C | InChi: | InChI=1S/C19H23ClN8/c1-12(2)17-16(18(20)27-26-17)14-5-6-22-19(24-14)25-15-4-3-13(11-23-15)28-9-7-21-8-10-28/h3-6,11-12,21H,7-10H2,1-2H3,(H,26,27)(H,22,23,24,25) | 別名: | 4-(5-chloro-3-isopropyl-1H-pyrazol-4-yl)-N-(5-(piperazin-1-yl)pyridin-2-yl)pyrimidin-2-amine | 定義日: | 2010-07-09 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-[5-chloro-3-(propan-2-yl)-1H-pyrazol-4-yl]-N-[5-(piperazin-1-yl)pyridin-2-yl]pyrimidin-2-amine |
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![U49 U49](https://data.pdbj.org/pdbjplus/data/cc/svg/U49.svg) | U49 | 表記: | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRI
AZA-CYCLOOCTADECOSINE-9-CARBONITRILE | 組成式: | C26 H21 N5 O2 | SMILES: | O=C3N4c6c5cc(Oc1cc(ccc1C#N)Cn2cncc2CNC3CC4)ccc5ccc6 | InChi: | InChI=1S/C26H21N5O2/c27-12-19-5-4-17-10-25(19)33-21-7-6-18-2-1-3-24(22(18)11-21)31-9-8-23(26(31)32)29-14-20-13-28-16-30(20)15-17/h1-7,10-11,13,16,23,29H,8-9,14-15H2/t23-/m1/s1 | 別名: | COMPOUND 49 | 定義日: | 2002-04-25 | 最終更新日: | 2020-06-17 | 識別子(ID): | (5R)-30-oxo-19-oxa-2,6,10,12-tetraazahexacyclo[18.6.2.1~2,5~.1~14,18~.0~8,12~.0~23,27~]triaconta-1(27),8,10,14(29),15,17,20(28),21,23,25-decaene-17-carbonitrile (non-preferred name) |
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![3P7 3P7](https://data.pdbj.org/pdbjplus/data/cc/svg/3P7.svg) | 3P7 | 表記: | (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3
-oxazine-4-carboxylic acid | 組成式: | C18 H18 N2 O9 | SMILES: | O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O | InChi: | InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17-,18+/m1/s1 | 別名: | MOXALACTAM DERIVATIVE (open form) | 定義日: | 2014-10-01 | 最終更新日: | 2020-06-17 | 公開日: | 2014-10-15 | 識別子(ID): | (2R)-2-[(1R)-1-{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid |
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![3P8 3P8](https://data.pdbj.org/pdbjplus/data/cc/svg/3P8.svg) | 3P8 | 表記: | methylammonium ion | 組成式: | C H6 N | SMILES: | [NH3+]C | InChi: | InChI=1S/CH5N/c1-2/h2H2,1H3/p+1 | 別名: | methanaminium | 定義日: | 2014-10-02 | 最終更新日: | 2020-06-17 | 公開日: | 2015-07-01 | 識別子(ID): | methanaminium |
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![3P9 3P9](https://data.pdbj.org/pdbjplus/data/cc/svg/3P9.svg) | 3P9 | 表記: | (2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol | 組成式: | C9 H20 O4 | SMILES: | O(C(CO)C)CC(OCC(O)C)C | InChi: | InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3/t7-,8+,9+/m1/s1 | 別名: | Polypropyleneglycol | 定義日: | 2014-10-01 | 最終更新日: | 2020-06-17 | 公開日: | 2015-07-07 | 識別子(ID): | (2S)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol |
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![3PD 3PD](https://data.pdbj.org/pdbjplus/data/cc/svg/3PD.svg) | 3PD | 表記: | 2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE | 組成式: | C10 H14 N5 O7 P | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)O)C3)CO | InChi: | InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(5(2-16)21-6)22-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 | 別名: | 2'-DEOXYGUANOSINE-3'-MONOPHOSPHATE | 定義日: | 2006-04-14 | 最終更新日: | 2020-06-17 | 識別子(ID): | 2'-deoxy-3'-guanylic acid |
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![U51 U51](https://data.pdbj.org/pdbjplus/data/cc/svg/U51.svg) | U51 | 表記: | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid | 組成式: | C20 H32 N2 O2 | SMILES: | O=C(O)CCC/C=CCC2C1N=NC(C1)C2/C=C/CCCCCC | InChi: | InChI=1S/C20H32N2O2/c1-2-3-4-5-6-9-12-16-17(19-15-18(16)21-22-19)13-10-7-8-11-14-20(23)24/h7,9-10,12,16-19H,2-6,8,11,13-15H2,1H3,(H,23,24)/b10-7-,12-9+/t16-,17-,18-,19+/m1/s1 | 別名: | 9,11-AZOPROSTA-5Z,13E-DIEN-1-OIC ACID | 定義日: | 2005-11-11 | 最終更新日: | 2020-06-17 | 識別子(ID): | (5Z)-7-{(1R,4S,5R,6R)-6-[(1E)-oct-1-en-1-yl]-2,3-diazabicyclo[2.2.1]hept-2-en-5-yl}hept-5-enoic acid |
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![3PP 3PP](https://data.pdbj.org/pdbjplus/data/cc/svg/3PP.svg) | 3PP | 表記: | 3-PHOSPHONOPROPANOIC ACID | 組成式: | C3 H7 O5 P | SMILES: | O=C(O)CCP(=O)(O)O | InChi: | InChI=1S/C3H7O5P/c4-3(5)1-2-9(6,7)8/h1-2H2,(H,4,5)(H2,6,7,8) | 別名: | 2-CARBOXYETHYLPHOSPHONIC ACID | 定義日: | 2000-12-14 | 最終更新日: | 2020-06-17 | 識別子(ID): | 3-phosphonopropanoic acid |
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![3QB 3QB](https://data.pdbj.org/pdbjplus/data/cc/svg/3QB.svg) | 3QB | 表記: | LINCOMYCIN | 組成式: | C18 H34 N2 O6 S | SMILES: | O=C(NC(C1OC(SC)C(O)C(O)C1O)C(O)C)C2N(C)CC(CCC)C2 | InChi: | InChI=1S/C18H34N2O6S/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25)/t9-,10-,11+,12-,13+,14-,15-,16-,18-/m1/s1 | 別名: | methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside | 定義日: | 2014-10-07 | 最終更新日: | 2020-06-17 | 公開日: | 2014-11-05 | 識別子(ID): | methyl (5R)-5-[(1R,2R)-2-hydroxy-1-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}propyl]-1-thio-beta-L-arabinopyranoside |
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![U66 U66](https://data.pdbj.org/pdbjplus/data/cc/svg/U66.svg) | U66 | 表記: | (20S)-19,20,22,23-TETRAHYDRO-19-OXO-5H,21H-18,20-ETHANO-12,14-ETHENO-6,10-METHENOBENZ[D]IMIDAZO[4,3-L][1,6,9,13]OXATRIA
ZACYCLONOADECOSINE-9-CARBONITRILE | 組成式: | C27 H27 N5 O2 | SMILES: | O=C3N4c6c5cc(OC1CC(=CCC1C#N)Cn2cncc2CCNC3CC4)ccc5ccc6 | InChi: | InChI=1S/C27H27N5O2/c28-14-20-5-4-18-12-26(20)34-22-7-6-19-2-1-3-25(23(19)13-22)32-11-9-24(27(32)33)30-10-8-21-15-29-17-31(21)16-18/h1-4,6-7,13,15,17,20,24,26,30H,5,8-12,16H2/t20-,24+,26?/m1/s1 | 別名: | COMPOUND 66 | 定義日: | 2002-04-24 | 最終更新日: | 2020-06-17 | 識別子(ID): | (5S,18R,19R)-31-oxo-20-oxa-2,6,11,13-tetraazahexacyclo[19.6.2.1~2,5~.1~15,19~.0~9,13~.0~24,28~]hentriaconta-1(27),9,11,15,21,23,25,28-octaene-18-carbonitrile (non-preferred name) |
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![3RD 3RD](https://data.pdbj.org/pdbjplus/data/cc/svg/3RD.svg) | 3RD | 表記: | 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid | 組成式: | C15 H14 N3 O8 P | SMILES: | O=C(O)c2ccc(/N=N/c1nc(c(O)c(c1COP(=O)(O)O)C=O)C)cc2 | InChi: | InChI=1S/C15H14N3O8P/c1-8-13(20)11(6-19)12(7-26-27(23,24)25)14(16-8)18-17-10-4-2-9(3-5-10)15(21)22/h2-6,20H,7H2,1H3,(H,21,22)(H2,23,24,25)/b18-17+ | 別名: | FOBISIN101 | 定義日: | 2011-05-21 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid |
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![TEJ TEJ](https://data.pdbj.org/pdbjplus/data/cc/svg/TEJ.svg) | TEJ | 表記: | (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one | 組成式: | C27 H38 O4 | SMILES: | O=C/4OC(CC(C3C2(C)C(C(=CC=C1/C(=C)C(O)CC(O)C1)CCC2)CC3)C)CC4=C | InChi: | InChI=1S/C27H38O4/c1-16(12-22-13-17(2)26(30)31-22)23-9-10-24-19(6-5-11-27(23,24)4)7-8-20-14-21(28)15-25(29)18(20)3/h7-8,16,21-25,28-29H,2-3,5-6,9-15H2,1,4H3/b19-7+,20-8-/t16-,21+,22-,23+,24-,25-,27+/m0/s1 | 別名: | (23S)-25-dehydro-1alpha-hydroxyvitamin D3-26,23-lactone | 定義日: | 2009-05-21 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one |
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![3S5 3S5](https://data.pdbj.org/pdbjplus/data/cc/svg/3S5.svg) | 3S5 | 表記: | Taurocyamine | 組成式: | C3 H9 N3 O3 S | SMILES: | O=S(=O)(O)CCNC(=[N@H])N | InChi: | InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9) | 別名: | 2-carbamimidamidoethanesulfonic acid | 定義日: | 2014-10-16 | 最終更新日: | 2020-06-17 | 公開日: | 2015-04-15 | 識別子(ID): | 2-carbamimidamidoethanesulfonic acid |
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![3TC 3TC](https://data.pdbj.org/pdbjplus/data/cc/svg/3TC.svg) | 3TC | 表記: | 4-AMINO-1-[(2R,5S)-2-(HYDROXYMETHYL)-1,3-OXATHIOLAN-5-YL]PYRIMIDIN-2(1H)-ONE | 組成式: | C8 H11 N3 O3 S | SMILES: | O=C1N=C(N)C=CN1C2OC(SC2)CO | InChi: | InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1 | 別名: | (-)-L-2',3'-DIDEOXY-3'-THIACYTIDINE | 定義日: | 2006-10-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-amino-1-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2(1H)-one |
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![TGF TGF](https://data.pdbj.org/pdbjplus/data/cc/svg/TGF.svg) | TGF | 表記: | 2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAM
INO)-4-CARBOXY-BUTYRYLAMINO]-PENTANEDIOIC ACID | 組成式: | C30 H37 N9 O13 | SMILES: | O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C=O)CCC(=O)O | InChi: | InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)39(13-40)16(12-33-24)11-32-15-3-1-14(2-4-15)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,16-19,32H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,33,37,38,46)/t16-,17-,18-,19-/m0/s1 | 別名: | TRIGLU-5-FORMYL-TETRAHYDROFOLATE | 定義日: | 2002-12-02 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-{[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid |
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![TGS TGS](https://data.pdbj.org/pdbjplus/data/cc/svg/TGS.svg) | TGS | 表記: | 1-deoxy-D-xylo-hex-3-ulose | 組成式: | C6 H12 O5 | SMILES: | CC(O)C(C(C(CO)O)O)=O | InChi: | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3-4,6-9,11H,2H2,1H3/t3-,4+,6-/m0/s1 | 別名: | 1-deoxy 3-keto-D-galactitol | 定義日: | 2015-03-27 | 最終更新日: | 2020-06-17 | 公開日: | 2016-03-23 | 識別子(ID): | 1-deoxy-D-xylo-hex-3-ulose |
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![TGT TGT](https://data.pdbj.org/pdbjplus/data/cc/svg/TGT.svg) | TGT | 表記: | TAGETITOXIN | 組成式: | C11 H17 N2 O11 P S | SMILES: | O=C(N)C1(O)SCC2(OC1C(OC(=O)C)C(N)C2OP(=O)(O)O)C(=O)O | InChi: | InChI=1S/C11H17N2O11PS/c1-3(14)22-5-4(12)6(24-25(19,20)21)10(9(16)17)2-26-11(18,8(13)15)7(5)23-10/h4-7,18H,2,12H2,1H3,(H2,13,15)(H,16,17)(H2,19,20,21)/t4-,5+,6+,7+,10+,11+/m0/s1 | 別名: | (1R,4R,5R,6R,7S,8R)-6-ACETOXY-7-AMINO-4-CARBAMOYL-4-HYDROXY-8-(PHOSPHONOOXY)-9-OXA-3-THIABICYCLO[3.3.1]NONANE-1-CARBOXY
LIC ACID | 定義日: | 2005-11-01 | 最終更新日: | 2020-06-17 | 識別子(ID): | (1R,4R,5R,6R,7S,8R)-6-(acetyloxy)-7-amino-4-carbamoyl-4-hydroxy-8-(phosphonooxy)-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid (non-preferred name) |
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![TH7 TH7](https://data.pdbj.org/pdbjplus/data/cc/svg/TH7.svg) | TH7 | 表記: | 2,4-dihydroxybenzenesulfenic acid | 組成式: | C6 H6 O3 S | SMILES: | OSc1ccc(O)cc1O | InChi: | InChI=1S/C6H6O3S/c7-4-1-2-6(10-9)5(8)3-4/h1-3,7-9H | 別名: | 4-HYDROXYSULFANYLBENZENE-1,3-DIOL | 定義日: | 2009-12-22 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-hydroxysulfanylbenzene-1,3-diol |
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![TH9 TH9](https://data.pdbj.org/pdbjplus/data/cc/svg/TH9.svg) | TH9 | 表記: | (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid | 組成式: | C19 H27 N O5 | SMILES: | O=C(O)C(O)=CC(=O)NCCCc1cc(OCCCCCC)ccc1 | InChi: | InChI=1S/C19H27NO5/c1-2-3-4-5-12-25-16-10-6-8-15(13-16)9-7-11-20-18(22)14-17(21)19(23)24/h6,8,10,13-14,21H,2-5,7,9,11-12H2,1H3,(H,20,22)(H,23,24)/b17-14- | 別名: | BPH-1063 | 定義日: | 2011-08-24 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2Z)-4-({3-[3-(hexyloxy)phenyl]propyl}amino)-2-hydroxy-4-oxobut-2-enoic acid |
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![THM THM](https://data.pdbj.org/pdbjplus/data/cc/svg/THM.svg) | THM | 表記: | THYMIDINE | 組成式: | C10 H14 N2 O5 | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CO | InChi: | InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 | 別名: | DEOXYTHYMIDINE | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | thymidine |
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![THX THX](https://data.pdbj.org/pdbjplus/data/cc/svg/THX.svg) | THX | 表記: | PHOSPHONIC ACID
6-({6-[6-(6-CARBAMOYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONYL)-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDOCENE-2-CA
RBONYL]-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBONL}-AMINO)-HEXYL ESTER 5-(5-METHYL-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-TETRAHYDRO-FURAN-2-YLMETHYL ESTER | 組成式: | C50 H53 N10 O12 P | SMILES: | O=C(N)N%11c1c(c2cc(nc2cc1)C(=O)N%10c3c(c4cc(nc4cc3)C(=O)N9c5c(c6cc(nc6cc5)C(=O)NCCCCCCOP(=O)(O)OCC8OC(N7C(=O)NC(=O)C(=C7)C)CC8O)CC9)CC%10)CC%11 | InChi: | InChI=1S/C50H53N10O12P/c1-26-24-60(50(67)56-45(26)62)44-23-42(61)43(72-44)25-71-73(68,69)70-19-5-3-2-4-15-52-46(63)36-20-30-27-12-16-57(39(27)9-6-33(30)53-36)47(64)37-21-31-28-13-17-58(40(28)10-7-34(31)54-37)48(65)38-22-32-29-14-18-59(49(51)66)41(29)11-8-35(32)55-38/h6-11,20-22,24,42-44,53-55,61H,2-5,12-19,23,25H2,1H3,(H2,51,66)(H,52,63)(H,68,69)(H,56,62,67)/t42-,43+,44+/m0/s1 | 別名: | CDPI3 | 定義日: | 1999-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | 5'-O-[(S)-{[6-({[6-({6-[(6-carbamoyl-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl)carbonyl]-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl}carbonyl)-3,6,7,8-tetrahydropyrrolo[3,2-e]indol-2-yl]carbonyl}amino)hexyl]oxy}(hydroxy)phosphoryl]thymidine |
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![TIC TIC](https://data.pdbj.org/pdbjplus/data/cc/svg/TIC.svg) | TIC | 表記: | ticlopidine | 組成式: | C14 H14 Cl N S | SMILES: | Clc1ccccc1CN3CCc2sccc2C3 | InChi: | InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2 | 別名: | 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine | 定義日: | 2010-01-22 | 最終更新日: | 2020-06-17 | 識別子(ID): | 5-(2-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine |
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![3WL 3WL](https://data.pdbj.org/pdbjplus/data/cc/svg/3WL.svg) | 3WL | 表記: | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one | 組成式: | C15 H10 O5 | SMILES: | O=C1c3c(O)c(O)c(O)cc3OC(=C1)c2ccccc2 | InChi: | InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H | 別名: | Baicalein | 定義日: | 2014-11-27 | 最終更新日: | 2020-06-17 | 公開日: | 2015-09-16 | 識別子(ID): | 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one |
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