![QKM QKM](https://data.pdbj.org/pdbjplus/data/cc/svg/QKM.svg) | QKM | 表記: | 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile | 組成式: | C22 H17 F2 N5 O S | SMILES: | CC(C(c1c(ccc(c1)F)F)(Cn2ncnc2)O)c4nc(c3ccc(cc3)C#N)cs4 | InChi: | InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1 | 別名: | Isavuconazole | 定義日: | 2019-11-07 | 最終更新日: | 2021-03-01 | 公開日: | 2020-10-21 | 識別子(ID): | 4-{2-[(2R,3R)-3-(2,5-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1,3-thiazol-4-yl}benzonitrile |
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![SL0 SL0](https://data.pdbj.org/pdbjplus/data/cc/svg/SL0.svg) | SL0 | 表記: | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside | 組成式: | C25 H24 O12 | SMILES: | O=C2C(OC1OC(C(OC(=O)C)C(OC(=O)C)C1O)C)=C(Oc3cc(O)cc(O)c23)c4ccc(O)cc4 | InChi: | InChI=1S/C25H24O12/c1-10-21(34-11(2)26)24(35-12(3)27)20(32)25(33-10)37-23-19(31)18-16(30)8-15(29)9-17(18)36-22(23)13-4-6-14(28)7-5-13/h4-10,20-21,24-25,28-30,32H,1-3H3/t10-,20+,21-,24-,25-/m0/s1 | 別名: | SL 0101-1 | 定義日: | 2011-11-16 | 最終更新日: | 2021-03-01 | 公開日: | 2012-08-31 | 識別子(ID): | 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3,4-di-O-acetyl-6-deoxy-alpha-L-mannopyranoside |
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![M18 M18](https://data.pdbj.org/pdbjplus/data/cc/svg/M18.svg) | M18 | 表記: | {(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate | 組成式: | C20 H27 Cl N2 O5 | SMILES: | O=C(N1CCCC1COC(=O)Cc2cccc(Cl)c2)CNC(=O)OC(C)(C)C | InChi: | InChI=1S/C20H27ClN2O5/c1-20(2,3)28-19(26)22-12-17(24)23-9-5-8-16(23)13-27-18(25)11-14-6-4-7-15(21)10-14/h4,6-7,10,16H,5,8-9,11-13H2,1-3H3,(H,22,26)/t16-/m0/s1 | 別名: | (3-Chloro-Phenyl)-acetic acid (S)-1-(2-tert-butoxycarbonylamino-acetyl)-pyrrolidin-2-ylmethyl ester | 定義日: | 2008-09-11 | 最終更新日: | 2021-03-01 | 識別子(ID): | {(2S)-1-[N-(tert-butoxycarbonyl)glycyl]pyrrolidin-2-yl}methyl (3-chlorophenyl)acetate |
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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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![TSS TSS](https://data.pdbj.org/pdbjplus/data/cc/svg/TSS.svg) | TSS | 表記: | 2-(1H-INDOL-3-YL)ETHANAMINE | 組成式: | C10 H12 N2 | SMILES: | c1cccc2c1c(cn2)CCN | InChi: | InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2 | 別名: | TRYPTAMINE | 定義日: | 2005-08-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2-(1H-indol-3-yl)ethanamine |
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![RE5 RE5](https://data.pdbj.org/pdbjplus/data/cc/svg/RE5.svg) | RE5 | 表記: | L-Glutamate Tenofovir | 組成式: | C14 H21 N6 O7 P | SMILES: | C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH](CCC(O)=O)C(O)=O | InChi: | InChI=1S/C14H21N6O7P/c1-8(4-20-6-18-11-12(15)16-5-17-13(11)20)27-7-28(25,26)19-9(14(23)24)2-3-10(21)22/h5-6,8-9H,2-4,7H2,1H3,(H,21,22)(H,23,24)(H2,15,16,17)(H2,19,25,26)/t8-,9+/m1/s1 | 別名: | (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]pentanedioic acid | 定義日: | 2020-09-28 | 最終更新日: | 2021-03-01 | 公開日: | 2021-01-13 | 識別子(ID): | (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]pentanedioic acid |
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![LNR LNR](https://data.pdbj.org/pdbjplus/data/cc/svg/LNR.svg) | LNR | 表記: | L-NOREPINEPHRINE | 組成式: | C8 H11 N O3 | SMILES: | Oc1ccc(cc1O)C(O)CN | InChi: | InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1 | 別名: | NORADRENALINE | 定義日: | 2001-03-28 | 最終更新日: | 2021-03-01 | 識別子(ID): | 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol |
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![RRT RRT](https://data.pdbj.org/pdbjplus/data/cc/svg/RRT.svg) | RRT | 表記: | (R)-RETRO-THIORPHAN | 組成式: | C12 H15 N O3 S | SMILES: | O=C(O)CC(=O)NC(Cc1ccccc1)CS | InChi: | InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1 | 別名: | 3-{[(1R)-1-BENZYL-2-SULFANYLETHYL]AMINO}-3-OXOPROPANOIC ACID | 定義日: | 2005-04-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3-{[(1R)-1-benzyl-2-sulfanylethyl]amino}-3-oxopropanoic acid |
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![VGL VGL](https://data.pdbj.org/pdbjplus/data/cc/svg/VGL.svg) | VGL | 表記: | PYRAZINE-2-CARBOXYLIC ACID | 組成式: | C5 H4 N2 O2 | SMILES: | O=C(O)c1nccnc1 | InChi: | InChI=1S/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9) | 別名: | PYRAZINOIC ACID | 定義日: | 2009-09-15 | 最終更新日: | 2021-03-01 | 識別子(ID): | pyrazine-2-carboxylic acid |
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![RRX RRX](https://data.pdbj.org/pdbjplus/data/cc/svg/RRX.svg) | RRX | 表記: | (3R)-beta,beta-caroten-3-ol | 組成式: | C40 H56 O | SMILES: | OC2CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)C2)C | InChi: | InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1 | 別名: | beta-Cryptoxanthin | 定義日: | 2014-05-01 | 最終更新日: | 2021-03-01 | 公開日: | 2014-09-03 | 識別子(ID): | (3R)-beta,beta-caroten-3-ol |
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![OIN OIN](https://data.pdbj.org/pdbjplus/data/cc/svg/OIN.svg) | OIN | 表記: | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | 組成式: | C17 H23 N O3 | SMILES: | O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO | InChi: | InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1 | 別名: | ATROPINE | 定義日: | 2004-06-01 | 最終更新日: | 2021-03-01 | 識別子(ID): | (3-exo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenylpropanoate |
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![0K7 0K7](https://data.pdbj.org/pdbjplus/data/cc/svg/0K7.svg) | 0K7 | 表記: | 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid | 組成式: | C11 H9 N O2 S | SMILES: | O=C(O)c1nc(sc1)c2ccc(cc2)C | InChi: | InChI=1S/C11H9NO2S/c1-7-2-4-8(5-3-7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14) | 別名: | MO07123 | 定義日: | 2012-01-30 | 最終更新日: | 2021-03-01 | 公開日: | 2012-12-07 | 識別子(ID): | 2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid |
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![REK REK](https://data.pdbj.org/pdbjplus/data/cc/svg/REK.svg) | REK | 表記: | D-Aspartate Tenofovir | 組成式: | C13 H19 N6 O7 P | SMILES: | C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH](CC(O)=O)C(O)=O | InChi: | InChI=1S/C13H19N6O7P/c1-7(3-19-5-17-10-11(14)15-4-16-12(10)19)26-6-27(24,25)18-8(13(22)23)2-9(20)21/h4-5,7-8H,2-3,6H2,1H3,(H,20,21)(H,22,23)(H2,14,15,16)(H2,18,24,25)/t7-,8-/m1/s1 | 別名: | (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid | 定義日: | 2020-09-28 | 最終更新日: | 2021-03-01 | 公開日: | 2021-01-13 | 識別子(ID): | (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid |
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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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![REM REM](https://data.pdbj.org/pdbjplus/data/cc/svg/REM.svg) | REM | 表記: | Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide | 組成式: | C33 H50 N4 O6 S | SMILES: | O=S(=O)(C(C)(C)C)CC(C(=O)NC(C(=O)NC(CC1CCCCC1)C(O)C(O)C2CC2)Cc3cncn3)Cc4ccccc4 | InChi: | InChI=1S/C33H50N4O6S/c1-33(2,3)44(42,43)20-25(16-22-10-6-4-7-11-22)31(40)37-28(18-26-19-34-21-35-26)32(41)36-27(17-23-12-8-5-9-13-23)30(39)29(38)24-14-15-24/h4,6-7,10-11,19,21,23-25,27-30,38-39H,5,8-9,12-18,20H2,1-3H3,(H,34,35)(H,36,41)(H,37,40)/t25-,27+,28+,29+,30-/m1/s1 | 別名: | remikiren | 定義日: | 2008-05-27 | 最終更新日: | 2021-03-01 | 識別子(ID): | Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide |
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![PDC PDC](https://data.pdbj.org/pdbjplus/data/cc/svg/PDC.svg) | PDC | 表記: | PYRIDINE-2,6-DICARBOXYLIC ACID | 組成式: | C7 H5 N O4 | SMILES: | O=C(O)c1nc(C(=O)O)ccc1 | InChi: | InChI=1S/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12) | 別名: | DIPICOLINIC ACID | 定義日: | 1999-07-08 | 最終更新日: | 2021-03-01 | 識別子(ID): | pyridine-2,6-dicarboxylic acid |
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![VH2 VH2](https://data.pdbj.org/pdbjplus/data/cc/svg/VH2.svg) | VH2 | 表記: | N-[5-[(4-BROMOPHENYL)METHYL]-4-HYDROXY-1,3-THIAZOL-2-YL]NAPHTHALENE-1-SULFONAMIDE | 組成式: | C20 H15 Br N2 O3 S2 | SMILES: | Oc1nc(N[S](=O)(=O)c2cccc3ccccc23)sc1Cc4ccc(Br)cc4 | InChi: | InChI=1S/C20H15BrN2O3S2/c21-15-10-8-13(9-11-15)12-17-19(24)22-20(27-17)23-28(25,26)18-7-3-5-14-4-1-2-6-16(14)18/h1-11,24H,12H2,(H,22,23) | 別名: | PITSTOP 2 | 定義日: | 2010-11-25 | 最終更新日: | 2021-03-01 | 識別子(ID): | N-[5-[(4-bromophenyl)methyl]-4-hydroxy-1,3-thiazol-2-yl]naphthalene-1-sulfonamide |
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![KWM KWM](https://data.pdbj.org/pdbjplus/data/cc/svg/KWM.svg) | KWM | 表記: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[(9~{S},11~{R})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | 組成式: | C36 H49 N9 O16 P2 | SMILES: | O=C1NC(=O)NCN(c3c(NC(CC(C1)c2ccccc2)O)cc(C)c(C)c3)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(C(C4O)O)n5cnc6c5ncnc6N | InChi: | InChI=1S/C36H49N9O16P2/c1-18-8-22-23(9-19(18)2)44(16-41-36(53)43-28(49)11-21(10-27(48)42-22)20-6-4-3-5-7-20)12-24(46)30(50)25(47)13-58-62(54,55)61-63(56,57)59-14-26-31(51)32(52)35(60-26)45-17-40-29-33(37)38-15-39-34(29)45/h3-9,15,17,21,24-27,30-32,35,42,46-48,50-52H,10-14,16H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H2,41,43,49,53)/t21-,24-,25+,26+,27+,30-,31+,32+,35+/m0/s1 | 別名: | GSK2879552 | 定義日: | 2019-01-22 | 最終更新日: | 2021-03-01 | 公開日: | 2019-02-13 | 識別子(ID): | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(8S,10R)-10-hydroxy-13,14-dimethyl-4,6-dioxo-8-phenyl-2,3,4,5,6,7,8,9,10,11-decahydro-1H-1,3,5,11-benzotetraazacyclotridecin-1-yl]pentyl dihydrogen diphosphate (non-preferred name) |
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![OJ2 OJ2](https://data.pdbj.org/pdbjplus/data/cc/svg/OJ2.svg) | OJ2 | 表記: | 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea | 組成式: | C16 H15 F3 N2 O3 | SMILES: | OCCc1ccccc1NC(=O)Nc2cccc(OC(F)(F)F)c2 | InChi: | InChI=1S/C16H15F3N2O3/c17-16(18,19)24-13-6-3-5-12(10-13)20-15(23)21-14-7-2-1-4-11(14)8-9-22/h1-7,10,22H,8-9H2,(H2,20,21,23) | 別名: | 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea | 定義日: | 2020-03-13 | 最終更新日: | 2021-03-01 | 公開日: | 2020-10-14 | 識別子(ID): | 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea |
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![LOA LOA](https://data.pdbj.org/pdbjplus/data/cc/svg/LOA.svg) | LOA | 表記: | (3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid | 組成式: | C26 H42 O4 | SMILES: | O=C(O)CCC(C4C3(C(C2C(C1(CCC(OC(=O)C)CC1CC2)C)CC3)CC4)C)C | InChi: | InChI=1S/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1 | 別名: | Lithocholic acid acetate | 定義日: | 2013-02-08 | 最終更新日: | 2021-03-01 | 公開日: | 2013-06-26 | 識別子(ID): | (3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid |
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![TTF TTF](https://data.pdbj.org/pdbjplus/data/cc/svg/TTF.svg) | TTF | 表記: | 4,4,4-TRIFLUORO-1-THIEN-2-YLBUTANE-1,3-DIONE | 組成式: | C8 H5 F3 O2 S | SMILES: | O=C(c1sccc1)CC(=O)C(F)(F)F | InChi: | InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2 | 別名: | 2-THENOYLTRIFLUOROACETONE | 定義日: | 2005-05-18 | 最終更新日: | 2021-03-01 | 識別子(ID): | 4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione |
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![TTI TTI](https://data.pdbj.org/pdbjplus/data/cc/svg/TTI.svg) | TTI | 表記: | 2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate) | 組成式: | C9 H13 N2 O8 P Te | SMILES: | [Te]=C2C(=O)NC(=O)N(C1OC(C(O)C1)COP(=O)(O)O)C2 | InChi: | InChI=1S/C9H13N2O8PTe/c12-4-1-7(19-5(4)3-18-20(15,16)17)11-2-6(21)8(13)10-9(11)14/h4-5,7,12H,1-3H2,(H,10,13,14)(H2,15,16,17)/t4-,5+,7+/m0/s1 | 別名: | 5-Tellurium-deoxyuridine-5'-phosphate | 定義日: | 2008-12-03 | 最終更新日: | 2021-03-01 | 識別子(ID): | 2'-deoxy-5-telluroxouridine 5'-(dihydrogen phosphate) |
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![RSH RSH](https://data.pdbj.org/pdbjplus/data/cc/svg/RSH.svg) | RSH | 表記: | 3-DEOXY-D-LYXO-HEXONIC ACID | 組成式: | C6 H12 O6 | SMILES: | O=C(O)C(O)CC(O)C(O)CO | InChi: | InChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4+,5-/m1/s1 | 別名: | D-2-KETO-3-DEOXYGALACTONATE | 定義日: | 2004-07-19 | 最終更新日: | 2021-03-01 | 識別子(ID): | 3-deoxy-D-lyxo-hexonic acid |
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![PDK PDK](https://data.pdbj.org/pdbjplus/data/cc/svg/PDK.svg) | PDK | 表記: | (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide | 組成式: | C47 H87 N4 O17 P | SMILES: | O=C(NCCOP(=O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O | InChi: | InChI=1S/C47H87N4O17P/c1-3-5-7-9-11-13-15-17-19-21-23-25-46(61)65-38-40(68-47(62)26-24-22-20-18-16-14-12-10-8-6-4-2)39-67-69(63,64)66-32-27-48-41(52)33-50(35-43(55)56)30-28-49(34-42(53)54)29-31-51(36-44(57)58)37-45(59)60/h40H,3-39H2,1-2H3,(H,48,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,63,64)/t40-/m1/s1 | 別名: | PE-DTPA | 定義日: | 2009-09-30 | 最終更新日: | 2021-03-01 | 識別子(ID): | (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide |
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![PDM PDM](https://data.pdbj.org/pdbjplus/data/cc/svg/PDM.svg) | PDM | 表記: | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | 組成式: | C14 H16 N2 O5 | SMILES: | O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O | InChi: | InChI=1S/C14H16N2O5/c17-11(5-8-14(20)21)15-9-1-3-10(4-2-9)16-12(18)6-7-13(16)19/h1-4,11,15,17H,5-8H2,(H,20,21)/t11-/m0/s1 | 別名: | PARA-PHENYL DIMALEMIDE | 定義日: | 2002-02-06 | 最終更新日: | 2021-03-01 | 識別子(ID): | (4S)-4-{[4-(2,5-dioxopyrrolidin-1-yl)phenyl]amino}-4-hydroxybutanoic acid |
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