![8QV 8QV](https://data.pdbj.org/pdbjplus/data/cc/svg/8QV.svg) | 8QV | Name: | (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine | Formula: | C27 H22 N4 O3 | SMILES: | C=1COCCC=1c2ncc3Oc5c(C4(c3c2)COC(=N4)N)cc(cc5)c6cncc(c6)C#CC | InChi: | InChI=1S/C27H22N4O3/c1-2-3-17-10-20(14-29-13-17)19-4-5-24-21(11-19)27(16-33-26(28)31-27)22-12-23(30-15-25(22)34-24)18-6-8-32-9-7-18/h4-6,10-15H,7-9,16H2,1H3,(H2,28,31)/t27-/m0/s1 | Definition date: | 2017-03-02 | Last modified: | 2017-05-12 | Release date: | 2017-05-17 | Identifier: | (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine |
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![6WV 6WV](https://data.pdbj.org/pdbjplus/data/cc/svg/6WV.svg) | 6WV | Name: | (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol | Formula: | C24 H29 N O | SMILES: | C[C]12CC[CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2Nc5ccccc5 | InChi: | InChI=1S/C24H29NO/c1-24-14-13-20-19-10-8-18(26)15-16(19)7-9-21(20)22(24)11-12-23(24)25-17-5-3-2-4-6-17/h2-6,8,10,15,20-23,25-26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,24+/m1/s1 | Definition date: | 2016-07-11 | Last modified: | 2017-01-13 | Release date: | 2017-01-18 | Identifier: | (8~{R},9~{S},13~{S},14~{S},17~{S})-13-methyl-17-phenylazanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol |
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![WAQ WAQ](https://data.pdbj.org/pdbjplus/data/cc/svg/WAQ.svg) | WAQ | Name: | PIMELOYL-AMP | Formula: | C17 H24 N5 O10 P | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)OC(=O)CCCCCC(O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C17H24N5O10P/c18-15-12-16(20-7-19-15)22(8-21-12)17-14(27)13(26)9(31-17)6-30-33(28,29)32-11(25)5-3-1-2-4-10(23)24/h7-9,13-14,17,26-27H,1-6H2,(H,23,24)(H,28,29)(H2,18,19,20)/t9-,13-,14-,17-/m1/s1 | Definition date: | 2015-10-28 | Last modified: | 2016-11-11 | Release date: | 2016-11-16 | Identifier: | 7-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-7-oxidanylidene-heptanoic acid |
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![5WP 5WP](https://data.pdbj.org/pdbjplus/data/cc/svg/5WP.svg) | 5WP | Name: | Rifampin-phosphate | Formula: | C43 H69 N4 O14 P | SMILES: | CCOc1c(C)c(O)c2c(O)c3NC(=O)[CH](C)CC=C[CH](C)[CH](O[P](O)(O)=O)[CH](C)[CH](O)[CH](C)[CH](O[CH](C)O)[CH](C)[CH](OC)C=CO[CH](O)c1c2cc3CNN4CCN(C)CC4 | InChi: | InChI=1S/C43H69N4O14P/c1-11-58-41-28(7)37(50)33-31-21-30(22-44-47-18-16-46(9)17-19-47)35(38(33)51)45-42(52)24(3)14-12-13-23(2)39(61-62(54,55)56)26(5)36(49)27(6)40(60-29(8)48)25(4)32(57-10)15-20-59-43(53)34(31)41/h12-13,15,20-21,23-27,29,32,36,39-40,43-44,48-51,53H,11,14,16-19,22H2,1-10H3,(H,45,52)(H2,54,55,56)/b13-12+,20-15+/t23-,24+,25-,26-,27+,29+,32+,36-,39+,40-,43-/m1/s1 | Definition date: | 2015-12-16 | Last modified: | 2015-12-24 | Release date: | 2015-12-29 |
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![5WQ 5WQ](https://data.pdbj.org/pdbjplus/data/cc/svg/5WQ.svg) | 5WQ | Name: | Rifampin | Formula: | C43 H64 N4 O11 | SMILES: | CCOc1c(C)c(O)c2c(O)c3NC(=O)[CH](C)CC=C[CH](C)C(=O)[CH](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](OC)C=CO[CH](O)c1c2cc3CNN4CCN(C)CC4 | InChi: | InChI=1S/C43H64N4O11/c1-11-56-41-28(7)38(51)33-31-21-30(22-44-47-18-16-46(9)17-19-47)35(39(33)52)45-42(53)24(3)14-12-13-23(2)36(49)26(5)37(50)27(6)40(58-29(8)48)25(4)32(55-10)15-20-57-43(54)34(31)41/h12-13,15,20-21,23-27,32,37,40,43-44,50-52,54H,11,14,16-19,22H2,1-10H3,(H,45,53)/b13-12+,20-15-/t23-,24+,25-,26+,27+,32-,37-,40-,43-/m1/s1 | Definition date: | 2015-12-16 | Last modified: | 2015-12-24 | Release date: | 2015-12-29 |
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![3SM 3SM](https://data.pdbj.org/pdbjplus/data/cc/svg/3SM.svg) | 3SM | Name: | 2-methoxy-N-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide | Formula: | C19 H21 N7 O2 | SMILES: | O=C(NCc4nc(c3nc2nc(c1ncn(c1c2c3)C)NC)ccc4)COC | InChi: | InChI=1S/C19H21N7O2/c1-20-19-16-17(26(2)10-22-16)12-7-14(24-18(12)25-19)13-6-4-5-11(23-13)8-21-15(27)9-28-3/h4-7,10H,8-9H2,1-3H3,(H,21,27)(H2,20,24,25) | Definition date: | 2014-10-17 | Last modified: | 2015-03-13 | Release date: | 2015-03-18 | Identifier: | 2-methoxy-N-({6-[1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl]pyridin-2-yl}methyl)acetamide |
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![1G7 1G7](https://data.pdbj.org/pdbjplus/data/cc/svg/1G7.svg) | 1G7 | Name: | (3S,6S)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione | Formula: | C18 H18 N2 O5 | SMILES: | O=C1NC(C(=O)NC1Cc2ccc(O)cc2)Cc3cc(O)c(O)cc3 | InChi: | InChI=1S/C18H18N2O5/c21-12-4-1-10(2-5-12)7-13-17(24)20-14(18(25)19-13)8-11-3-6-15(22)16(23)9-11/h1-6,9,13-14,21-23H,7-8H2,(H,19,25)(H,20,24)/t13-,14-/m0/s1 | Definition date: | 2013-01-22 | Last modified: | 2013-04-26 | Release date: | 2013-05-01 | Identifier: | (3S,6S)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione |
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![LF0 LF0](https://data.pdbj.org/pdbjplus/data/cc/svg/LF0.svg) | LF0 | Name: | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid | Formula: | C25 H27 N O4 | SMILES: | O=C(O)C(OC(C)(C)C)c4c(nc1c(cccc1)c4c3ccc2OCCCc2c3)C | InChi: | InChI=1S/C25H27NO4/c1-15-21(23(24(27)28)30-25(2,3)4)22(18-9-5-6-10-19(18)26-15)17-11-12-20-16(14-17)8-7-13-29-20/h5-6,9-12,14,23H,7-8,13H2,1-4H3,(H,27,28)/t23-/m0/s1 | Definition date: | 2012-12-21 | Last modified: | 2013-04-26 | Release date: | 2013-05-01 | Identifier: | (2S)-tert-butoxy[4-(3,4-dihydro-2H-chromen-6-yl)-2-methylquinolin-3-yl]ethanoic acid |
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![HQE HQE](https://data.pdbj.org/pdbjplus/data/cc/svg/HQE.svg) | HQE | Name: | benzene-1,4-diol | Formula: | C6 H6 O2 | SMILES: | Oc1ccc(O)cc1 | InChi: | InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H | Definition date: | 2012-03-14 | Last modified: | 2012-06-22 | Identifier: | benzene-1,4-diol |
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![UHF UHF](https://data.pdbj.org/pdbjplus/data/cc/svg/UHF.svg) | UHF | Name: | N-((2R,4S)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-N-hydroxyformamide | Formula: | C19 H30 N4 O4 | SMILES: | O=C(Nc1ncc(cc1)C)NC(C(=O)C(CCCC)CN(O)C=O)C(C)C | InChi: | InChI=1S/C19H30N4O4/c1-5-6-7-15(11-23(27)12-24)18(25)17(13(2)3)22-19(26)21-16-9-8-14(4)10-20-16/h8-10,12-13,15,17,27H,5-7,11H2,1-4H3,(H2,20,21,22,26)/t15-,17+/m1/s1 | Definition date: | 2011-10-20 | Last modified: | 2012-06-22 | Identifier: | 1-[(3S,5R)-5-{[formyl(hydroxy)amino]methyl}-2-methyl-4-oxononan-3-yl]-3-(5-methylpyridin-2-yl)urea |
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![2CJ 2CJ](https://data.pdbj.org/pdbjplus/data/cc/svg/2CJ.svg) | 2CJ | Name: | (1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid | Formula: | C26 H32 N2 O3 | SMILES: | O=C(O)CC1(CCCC1)CC(=O)N4CCN(C(c2ccccc2)c3ccccc3)CC4 | InChi: | InChI=1S/C26H32N2O3/c29-23(19-26(20-24(30)31)13-7-8-14-26)27-15-17-28(18-16-27)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,25H,7-8,13-20H2,(H,30,31) | Definition date: | 2010-07-30 | Last modified: | 2012-03-30 | Identifier: | (1-{2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxoethyl}cyclopentyl)acetic acid |
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![02Q 02Q](https://data.pdbj.org/pdbjplus/data/cc/svg/02Q.svg) | 02Q | Name: | 3-(2-methylphenyl)propanoic acid | Formula: | C10 H12 O2 | SMILES: | O=C(O)CCc1ccccc1C | InChi: | InChI=1S/C10H12O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12) | Definition date: | 2011-06-24 | Last modified: | 2012-01-13 | Identifier: | 3-(2-methylphenyl)propanoic acid |
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![BT5 BT5](https://data.pdbj.org/pdbjplus/data/cc/svg/BT5.svg) | BT5 | Name: | BIOTINYL-5-AMP | Formula: | C20 H28 N7 O9 P S | SMILES: | O=C1NC2C(SCC2N1)CCCCC(=O)OP(=O)(O)OCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O | InChi: | InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9-,10+,11-,13-,15+,16+,19+/m0/s1 | Definition date: | 2004-10-06 | Last modified: | 2012-01-05 | Identifier: | 5'-O-[(R)-hydroxy({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)phosphoryl]adenosine |
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![AMP AMP](https://data.pdbj.org/pdbjplus/data/cc/svg/AMP.svg) | AMP | Name: | ADENOSINE MONOPHOSPHATE | Formula: | C10 H14 N5 O7 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-12-08 | Identifier: | 5'-adenylic acid |
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![2HP 2HP](https://data.pdbj.org/pdbjplus/data/cc/svg/2HP.svg) | 2HP | Name: | DIHYDROGENPHOSPHATE ION | Formula: | H2 O4 P | SMILES: | [O-]P(=O)(O)O | InChi: | InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | dihydrogen phosphate |
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![4NL 4NL](https://data.pdbj.org/pdbjplus/data/cc/svg/4NL.svg) | 4NL | Name: | 4-AMINOPHENOL | Formula: | C6 H7 N O | SMILES: | Oc1ccc(N)cc1 | InChi: | InChI=1S/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2 | Definition date: | 2007-02-05 | Last modified: | 2011-06-04 | Identifier: | 4-aminophenol |
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![CHF CHF](https://data.pdbj.org/pdbjplus/data/cc/svg/CHF.svg) | CHF | Name: | CYCLOHEXYLFLUOROSTATONE | Formula: | C11 H19 F2 N O4 | SMILES: | O=C(O)C(F)(F)C(O)(O)C(N)CC1CCCCC1 | InChi: | InChI=1S/C11H19F2NO4/c12-10(13,9(15)16)11(17,18)8(14)6-7-4-2-1-3-5-7/h7-8,17-18H,1-6,14H2,(H,15,16)/t8-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (4S)-4-amino-5-cyclohexyl-2,2-difluoro-3,3-dihydroxypentanoic acid |
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![CL8 CL8](https://data.pdbj.org/pdbjplus/data/cc/svg/CL8.svg) | CL8 | Name: | CHLORAMPHENICOL SUCCINATE | Formula: | C15 H16 Cl2 N2 O8 | SMILES: | ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)COC(=O)CCC(=O)O | InChi: | InChI=1S/C15H16Cl2N2O8/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21)/t10-,13-/m1/s1 | Definition date: | 2008-08-28 | Last modified: | 2011-06-04 | Identifier: | 4-{[(2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl]oxy}-4-oxobutanoic acid |
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![CLM CLM](https://data.pdbj.org/pdbjplus/data/cc/svg/CLM.svg) | CLM | Name: | CHLORAMPHENICOL | Formula: | C11 H12 Cl2 N2 O5 | SMILES: | ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO | InChi: | InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | 2,2-dichloro-N-[(1R,2R)-2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]acetamide |
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![GOM GOM](https://data.pdbj.org/pdbjplus/data/cc/svg/GOM.svg) | GOM | Name: | GLUTAMOL-AMP | Formula: | C15 H22 N6 O9 P | SMILES: | [O-]C(=O)CCC([NH3+])COP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C15H23N6O9P/c16-7(1-2-9(22)23)3-28-31(26,27)29-4-8-11(24)12(25)15(30-8)21-6-20-10-13(17)18-5-19-14(10)21/h5-8,11-12,15,24-25H,1-4,16H2,(H,22,23)(H,26,27)(H2,17,18,19)/p-1/t7-,8+,11+,12+,15+/m0/s1 | Definition date: | 2002-11-26 | Last modified: | 2011-06-04 | Identifier: | 5'-O-({[(2S)-2-ammonio-4-carboxylatobutyl]oxy}phosphinato)adenosine |
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![243 243](https://data.pdbj.org/pdbjplus/data/cc/svg/243.svg) | 243 | Name: | (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid | Formula: | C18 H32 O3 | SMILES: | O=C(O)CCCCCCC/C=CC=CC(O)CCCCC | InChi: | InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+/t17-/m0/s1 | Definition date: | 2007-07-17 | Last modified: | 2011-06-04 | Identifier: | (9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid |
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![2AF 2AF](https://data.pdbj.org/pdbjplus/data/cc/svg/2AF.svg) | 2AF | Name: | 2-AMINOPHENOL | Formula: | C6 H7 N O | SMILES: | Oc1ccccc1N | InChi: | InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2 | Definition date: | 2002-03-19 | Last modified: | 2011-06-04 | Identifier: | 2-aminophenol |
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![2BM 2BM](https://data.pdbj.org/pdbjplus/data/cc/svg/2BM.svg) | 2BM | Name: | DIBROMOMETHANE | Formula: | C H2 Br2 | SMILES: | BrCBr | InChi: | InChI=1S/CH2Br2/c2-1-3/h1H2 | Definition date: | 2000-10-13 | Last modified: | 2011-06-04 | Identifier: | dibromomethane |
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![LGA LGA](https://data.pdbj.org/pdbjplus/data/cc/svg/LGA.svg) | LGA | Name: | PYRIMIDIN-2-AMINE | Formula: | C4 H5 N3 | SMILES: | n1cccnc1N | InChi: | InChI=1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7) | Definition date: | 2008-03-31 | Last modified: | 2011-06-04 | Identifier: | pyrimidin-2-amine |
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![NCM NCM](https://data.pdbj.org/pdbjplus/data/cc/svg/NCM.svg) | NCM | Name: | NORCAMPHOR | Formula: | C7 H10 O | SMILES: | O=C1CC2CC1CC2 | InChi: | InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h5-6H,1-4H2/t5-,6+/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2011-06-04 | Identifier: | (1R,4S)-bicyclo[2.2.1]heptan-2-one |
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