![A0L A0L](https://data.pdbj.org/pdbjplus/data/cc/svg/A0L.svg) | A0L | Name: | 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one | Formula: | C31 H34 N6 O4 | SMILES: | c5(CC4=C(N=C(CCCC)N(Cc3ccc(c1c(cccc1)C=2NC(=O)ON=2)cc3)C4=O)C)nc(C(C)(C)C)no5 | InChi: | InChI=1S/C31H34N6O4/c1-6-7-12-25-32-19(2)24(17-26-33-29(36-40-26)31(3,4)5)28(38)37(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)27-34-30(39)41-35-27/h8-11,13-16H,6-7,12,17-18H2,1-5H3,(H,34,35,39) | Definition date: | 2018-09-11 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 2-butyl-5-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-6-methyl-3-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}pyrimidin-4(3H)-one |
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![B7X B7X](https://data.pdbj.org/pdbjplus/data/cc/svg/B7X.svg) | B7X | Name: | (3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name) | Formula: | C26 H40 N7 O20 P3 S | SMILES: | c1nc(c2c(n1)n(cn2)C3C(O)C(C(COP(=O)(O)OP(OCC(C(O)C(=O)NCCC(NCCSC(CC(=O)CC(O)=O)=O)=O)(C)C)(=O)O)O3)OP(O)(O)=O)N | InChi: | InChI=1S/C26H40N7O20P3S/c1-26(2,21(40)24(41)29-4-3-15(35)28-5-6-57-17(38)8-13(34)7-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-20(52-54(42,43)44)19(39)25(51-14)33-12-32-18-22(27)30-11-31-23(18)33/h11-12,14,19-21,25,39-40H,3-10H2,1-2H3,(H,28,35)(H,29,41)(H,36,37)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t14-,19-,20-,21+,25-/m1/s1 | Definition date: | 2019-01-21 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name) |
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![AE0 AE0](https://data.pdbj.org/pdbjplus/data/cc/svg/AE0.svg) | AE0 | Name: | ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate | Formula: | C30 H34 N4 O5 | SMILES: | C(CC=1C(N(C(CCCC)=NC=1C(C)C)Cc2ccc(cc2)c3ccccc3C4=NOC(N4)=O)=O)(=O)OCC | InChi: | InChI=1S/C30H34N4O5/c1-5-7-12-25-31-27(19(3)4)24(17-26(35)38-6-2)29(36)34(25)18-20-13-15-21(16-14-20)22-10-8-9-11-23(22)28-32-30(37)39-33-28/h8-11,13-16,19H,5-7,12,17-18H2,1-4H3,(H,32,33,37) | Definition date: | 2018-10-30 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | ethyl [2-butyl-6-oxo-1-{[2'-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)[1,1'-biphenyl]-4-yl]methyl}-4-(propan-2-yl)-1,6-dihydropyrimidin-5-yl]acetate |
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![E26 E26](https://data.pdbj.org/pdbjplus/data/cc/svg/E26.svg) | E26 | Name: | (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione | Formula: | C21 H27 N O6 | SMILES: | CCNc1cc(O)c2C(=O)O[CH](C)[CH](C)C=CC(=O)[CH](O)[CH](O)CC=Cc2c1 | InChi: | InChI=1S/C21H27NO6/c1-4-22-15-10-14-6-5-7-16(23)20(26)17(24)9-8-12(2)13(3)28-21(27)19(14)18(25)11-15/h5-6,8-13,16,20,22-23,25-26H,4,7H2,1-3H3/b6-5+,9-8-/t12-,13+,16+,20+/m1/s1 | Definition date: | 2018-10-30 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (4~{S},5~{R},6~{Z},9~{S},10~{S},12~{E})-16-(ethylamino)-4,5-dimethyl-9,10,18-tris(oxidanyl)-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione |
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![EZ8 EZ8](https://data.pdbj.org/pdbjplus/data/cc/svg/EZ8.svg) | EZ8 | Name: | [1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-[(1~{S},2~{S},4~{S},5~{S})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium | Formula: | C35 H48 Cl N6 O10 | SMILES: | [NH3+]Cc1cn(nn1)[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3C[CH]([CH](C[CH]3OCCCl)C(=O)NCc4ccc(CO)cc4)C(=O)NCc5ccc(CO)cc5 | InChi: | InChI=1S/C35H47ClN6O10/c36-9-10-50-27-11-25(33(48)38-14-20-1-5-22(17-43)6-2-20)26(34(49)39-15-21-3-7-23(18-44)8-4-21)12-28(27)51-35-30(42-16-24(13-37)40-41-42)32(47)31(46)29(19-45)52-35/h1-8,16,25-32,35,43-47H,9-15,17-19,37H2,(H,38,48)(H,39,49)/p+1/t25-,26-,27-,28-,29+,30-,31+,32+,35-/m0/s1 | Definition date: | 2018-05-10 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | [1-[(2~{S},3~{S},4~{R},5~{S},6~{R})-2-[(1~{S},2~{S},4~{S},5~{S})-2-(2-chloroethyloxy)-4,5-bis[[4-(hydroxymethyl)phenyl]methylcarbamoyl]cyclohexyl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methylazanium |
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![FBK FBK](https://data.pdbj.org/pdbjplus/data/cc/svg/FBK.svg) | FBK | Name: | 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid | Formula: | C18 H13 N O3 | SMILES: | Oc1cccc(c1)c2cccc(n2)c3cccc(c3)C(O)=O | InChi: | InChI=1S/C18H13NO3/c20-15-7-2-5-13(11-15)17-9-3-8-16(19-17)12-4-1-6-14(10-12)18(21)22/h1-11,20H,(H,21,22) | Definition date: | 2018-06-19 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid |
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![G5T G5T](https://data.pdbj.org/pdbjplus/data/cc/svg/G5T.svg) | G5T | Name: | 3-(6-morpholin-4-ylpyridin-2-yl)phenol | Formula: | C15 H16 N2 O2 | SMILES: | Oc1cccc(c1)c2cccc(n2)N3CCOCC3 | InChi: | InChI=1S/C15H16N2O2/c18-13-4-1-3-12(11-13)14-5-2-6-15(16-14)17-7-9-19-10-8-17/h1-6,11,18H,7-10H2 | Definition date: | 2018-08-29 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 3-(6-morpholin-4-ylpyridin-2-yl)phenol |
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![G62 G62](https://data.pdbj.org/pdbjplus/data/cc/svg/G62.svg) | G62 | Name: | 3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol | Formula: | C17 H17 N O2 | SMILES: | Oc1cccc(c1)c2cccc(n2)[C]34CCOC[CH]3C4 | InChi: | InChI=1S/C17H17NO2/c19-14-4-1-3-12(9-14)15-5-2-6-16(18-15)17-7-8-20-11-13(17)10-17/h1-6,9,13,19H,7-8,10-11H2/t13-,17+/m1/s1 | Definition date: | 2018-08-29 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 3-[6-[(1~{S},6~{R})-3-oxabicyclo[4.1.0]heptan-6-yl]pyridin-2-yl]phenol |
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![G68 G68](https://data.pdbj.org/pdbjplus/data/cc/svg/G68.svg) | G68 | Name: | 3-[6-(oxan-4-yl)pyridin-2-yl]phenol | Formula: | C16 H17 N O2 | SMILES: | Oc1cccc(c1)c2cccc(n2)C3CCOCC3 | InChi: | InChI=1S/C16H17NO2/c18-14-4-1-3-13(11-14)16-6-2-5-15(17-16)12-7-9-19-10-8-12/h1-6,11-12,18H,7-10H2 | Definition date: | 2018-08-29 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | 3-[6-(oxan-4-yl)pyridin-2-yl]phenol |
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![GJT GJT](https://data.pdbj.org/pdbjplus/data/cc/svg/GJT.svg) | GJT | Name: | (3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid | Formula: | C17 H26 N4 O5 | SMILES: | CCC(CC)O[CH]1C=C(C[CH]([CH]1NC(C)=O)n2cc(CO)nn2)C(O)=O | InChi: | InChI=1S/C17H26N4O5/c1-4-13(5-2)26-15-7-11(17(24)25)6-14(16(15)18-10(3)23)21-8-12(9-22)19-20-21/h7-8,13-16,22H,4-6,9H2,1-3H3,(H,18,23)(H,24,25)/t14-,15+,16+/m0/s1 | Definition date: | 2018-09-19 | Last modified: | 2019-09-06 | Release date: | 2019-09-11 | Identifier: | (3~{R},4~{R},5~{S})-4-acetamido-5-[4-(hydroxymethyl)-1,2,3-triazol-1-yl]-3-pentan-3-yloxy-cyclohexene-1-carboxylic acid |
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![B7Z B7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/B7Z.svg) | B7Z | Name: | 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one | Formula: | C19 H23 N7 O2 | SMILES: | CCC(=O)N1CCN(CC1)CCc2cnn(c2)c3nccc4C(=O)NC=Nc34 | InChi: | InChI=1S/C19H23N7O2/c1-2-16(27)25-9-7-24(8-10-25)6-4-14-11-23-26(12-14)18-17-15(3-5-20-18)19(28)22-13-21-17/h3,5,11-13H,2,4,6-10H2,1H3,(H,21,22,28) | Definition date: | 2017-09-20 | Last modified: | 2019-09-05 | Release date: | 2018-05-02 | Identifier: | 8-[4-[2-(4-propanoylpiperazin-1-yl)ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one |
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![AUZ AUZ](https://data.pdbj.org/pdbjplus/data/cc/svg/AUZ.svg) | AUZ | Name: | bis(m2-Oxo)-bis(2-methyl-2,2'-bipyridine)-di-gold(iii) | Formula: | C24 H24 Au2 N4 O2 | SMILES: | Cc1cccc2c3cccc(C)[n+]3[Au]4(O[Au]5(O4)[n+]6c(C)cccc6c7cccc(C)[n+]57)[n+]12 | InChi: | InChI=1S/2C12H12N2.2Au.2O/c2*1-9-5-3-7-11(13-9)12-8-4-6-10(2)14-12 | Definition date: | 2017-01-16 | Last modified: | 2019-09-05 | Release date: | 2017-05-31 |
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![K3T K3T](https://data.pdbj.org/pdbjplus/data/cc/svg/K3T.svg) | K3T | Name: | 3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide | Formula: | C12 H8 Cl F N2 O S2 | SMILES: | Fc1ccc2c(Cl)c(sc2c1)C(=O)NC3=NCCS3 | InChi: | InChI=1S/C12H8ClFN2OS2/c13-9-7-2-1-6(14)5-8(7)19-10(9)11(17)16-12-15-3-4-18-12/h1-2,5H,3-4H2,(H,15,16,17) | Definition date: | 2017-01-24 | Last modified: | 2019-09-04 | Release date: | 2017-10-25 | Identifier: | 3-chloranyl-~{N}-(4,5-dihydro-1,3-thiazol-2-yl)-6-fluoranyl-1-benzothiophene-2-carboxamide |
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![MCQ MCQ](https://data.pdbj.org/pdbjplus/data/cc/svg/MCQ.svg) | MCQ | Name: | {(4S)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-4-[(S)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid | Formula: | C18 H25 N3 O5 S2 | SMILES: | C(O)(=O)CN1C(C(N)CCSC)=NC(C1=O)C(c2ccc(O)cc2)SCCO | InChi: | InChI=1S/C18H25N3O5S2/c1-27-8-6-13(19)17-20-15(18(26)21(17)10-14(24)25)16(28-9-7-22)11-2-4-12(23)5-3-11/h2-5,13,15-16,22-23H,6-10,19H2,1H3,(H,24,25)/t13-,15-,16+/m1/s1 | Definition date: | 2015-12-22 | Last modified: | 2019-09-04 | Release date: | 2017-01-11 | Identifier: | {(4S)-2-[(1R)-1-amino-3-(methylsulfanyl)propyl]-4-[(S)-[(2-hydroxyethyl)sulfanyl](4-hydroxyphenyl)methyl]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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![H82 H82](https://data.pdbj.org/pdbjplus/data/cc/svg/H82.svg) | H82 | Name: | 3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide | Formula: | C28 H29 F3 N5 O4 | SMILES: | COc1cc(ccc1Nc2ncc(c(Oc3cccc4CCC(=O)c34)n2)C(F)(F)F)C(=O)NC5CC[NH+](C)CC5 | InChi: | InChI=1S/C28H28F3N5O4/c1-36-12-10-18(11-13-36)33-25(38)17-6-8-20(23(14-17)39-2)34-27-32-15-19(28(29,30)31)26(35-27)40-22-5-3-4-16-7-9-21(37)24(16)22/h3-6,8,14-15,18H,7,9-13H2,1-2H3,(H,33,38)(H,32,34,35)/p+1 | Definition date: | 2018-11-21 | Last modified: | 2019-09-04 | Release date: | 2019-02-20 | Identifier: | 3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide |
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![TSP TSP](https://data.pdbj.org/pdbjplus/data/cc/svg/TSP.svg) | TSP | Name: | 3'-THIO-THYMIDINE-5'-PHOSPHATE | Formula: | C10 H15 N2 O7 P S | SMILES: | P(=O)(O)(O)OCC1OC(CC1S)N2C(=O)NC(=O)C(C)=C2 | InChi: | InChI=1S/C10H15N2O7PS/c1-5-3-12(10(14)11-9(5)13)8-2-7(21)6(19-8)4-18-20(15,16)17/h3,6-8,21H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)/t6-,7+,8-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2019-09-04 | Identifier: | 3'-thiothymidine 5'-(dihydrogen phosphate) |
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![7AF 7AF](https://data.pdbj.org/pdbjplus/data/cc/svg/7AF.svg) | 7AF | Name: | ~{N}-[(2~{S})-1-[[(2~{S})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid | Formula: | C21 H36 N3 O5 P | SMILES: | CC(C)C[CH](N[P](O)(=O)CNC(=O)OCc1ccccc1)C(=O)NC[CH](C)C(C)C | InChi: | InChI=1S/C21H36N3O5P/c1-15(2)11-19(20(25)22-12-17(5)16(3)4)24-30(27,28)14-23-21(26)29-13-18-9-7-6-8-10-18/h6-10,15-17,19H,11-14H2,1-5H3,(H,22,25)(H,23,26)(H2,24,27,28)/t17-,19+/m1/s1 | Definition date: | 2016-09-22 | Last modified: | 2019-09-04 | Release date: | 2016-12-21 | Identifier: | ~{N}-[(2~{S})-1-[[(2~{S})-2,3-dimethylbutyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-(phenylmethoxycarbonylaminomethyl)phosphonamidic acid |
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![61P 61P](https://data.pdbj.org/pdbjplus/data/cc/svg/61P.svg) | 61P | Name: | 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name) | Formula: | C30 H30 N8 O2 | SMILES: | C(=NNC(C(N)Cc1nc2c(c1)cccc2)=O)c3cc(ccc3)[C@H]=NNC(=O)C(N)Cc4cnc5c4cccc5 | InChi: | InChI=1S/C30H30N8O2/c31-25(14-22-18-33-28-11-4-2-9-24(22)28)29(39)37-34-16-19-6-5-7-20(12-19)17-35-38-30(40)26(32)15-23-13-21-8-1-3-10-27(21)36-23/h1-13,16-18,25-26,33,36H,14-15,31-32H2,(H,37,39)(H,38,40)/b34-16+,35-17?/t25-,26?/m0/s1 | Definition date: | 2016-01-13 | Last modified: | 2019-09-04 | Release date: | 2016-07-20 | Identifier: | 2-amino-N'-{3-[(E)-{2-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]hydrazinylidene}methyl]benzylidene}-3-(1H-indol-2-yl)propanehydrazide (non-preferred name) |
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![57O 57O](https://data.pdbj.org/pdbjplus/data/cc/svg/57O.svg) | 57O | Name: | (4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid | Formula: | C9 H11 N O4 | SMILES: | Cc1c(O)nc(c(C)c1O)CC(O)=O | InChi: | InChI=1S/C9H11NO4/c1-4-6(3-7(11)12)10-9(14)5(2)8(4)13/h3H2,1-2H3,(H,11,12)(H2,10,13,14) | Definition date: | 2015-08-11 | Last modified: | 2019-09-04 | Release date: | 2016-10-26 | Identifier: | (4,6-dihydroxy-3,5-dimethylpyridin-2-yl)acetic acid |
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![5DV 5DV](https://data.pdbj.org/pdbjplus/data/cc/svg/5DV.svg) | 5DV | Name: | methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate | Formula: | C20 H19 Cl N3 O3 P | SMILES: | N#CCCc1cc(cc(c1)C)P(OC)(=O)c3c2cc(Cl)ccc2nc3C(=O)N | InChi: | InChI=1S/C20H19ClN3O3P/c1-12-8-13(4-3-7-22)10-15(9-12)28(26,27-2)19-16-11-14(21)5-6-17(16)24-18(19)20(23)25/h5-6,8-11,24H,3-4H2,1-2H3,(H2,23,25)/t28-/m1/s1 | Definition date: | 2015-09-11 | Last modified: | 2019-09-04 | Release date: | 2016-02-17 | Identifier: | methyl (R)-(2-carbamoyl-5-chloro-1H-indol-3-yl)[3-(2-cyanoethyl)-5-methylphenyl]phosphinate |
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![8UB 8UB](https://data.pdbj.org/pdbjplus/data/cc/svg/8UB.svg) | 8UB | Name: | 3-(2-thiophen-2-ylethenyl)-1~{H}-quinoxalin-2-one | Formula: | C14 H10 N2 O S | SMILES: | O=C1Nc2ccccc2N=C1C=Cc3sccc3 | InChi: | InChI=1S/C14H10N2OS/c17-14-13(8-7-10-4-3-9-18-10)15-11-5-1-2-6-12(11)16-14/h1-9H,(H,16,17) | Definition date: | 2017-03-09 | Last modified: | 2019-09-04 | Release date: | 2018-05-16 | Identifier: | 3-(2-thiophen-2-ylethenyl)-1~{H}-quinoxalin-2-one |
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![C3R C3R](https://data.pdbj.org/pdbjplus/data/cc/svg/C3R.svg) | C3R | Name: | Carolacton | Formula: | C25 H40 O8 | SMILES: | CO[CH](CC(O)=O)[CH](C)C(=O)[CH](C)C=C(C)[CH]1OC(=O)[CH](O)[CH](O)C=C[CH](C)CCC[CH]1C | InChi: | InChI=1S/C25H40O8/c1-14-8-7-9-15(2)24(33-25(31)23(30)19(26)11-10-14)17(4)12-16(3)22(29)18(5)20(32-6)13-21(27)28/h10-12,14-16,18-20,23-24,26,30H,7-9,13H2,1-6H3,(H,27,28)/b11-10+,17-12+/t14-,15+,16-,18-,19-,20-,23-,24+/m1/s1 | Definition date: | 2017-05-19 | Last modified: | 2019-09-04 | Release date: | 2018-02-28 | Identifier: | (~{E},3~{R},4~{R},6~{R})-8-[(2~{S},3~{S},7~{R},8~{E},10~{R},11~{R})-3,7-dimethyl-10,11-bis(oxidanyl)-12-oxidanylidene-1-oxacyclododec-8-en-2-yl]-3-methoxy-4,6-dimethyl-5-oxidanylidene-non-7-enoic acid |
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![6G6 6G6](https://data.pdbj.org/pdbjplus/data/cc/svg/6G6.svg) | 6G6 | Name: | 2-amino-9-{5-O-[(R)-{[(S)-{dichloro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-methyl-beta-D-ribofuranosyl}-7-methyl-9H-purin-7-ium-6-olate | Formula: | C13 H21 Cl2 N5 O16 P4 | SMILES: | OP(=O)(O)OP(C(Cl)(Cl)P(O)(=O)OP(O)(=O)OCC1OC(C(C1O)OC)n2c[n+](C)c3c2nc(N)nc3[O-])(O)=O | InChi: | InChI=1S/C13H21Cl2N5O16P4/c1-19-4-20(9-6(19)10(22)18-12(16)17-9)11-8(32-2)7(21)5(34-11)3-33-40(30,31)36-38(25,26)13(14,15)37(23,24)35-39(27,28)29/h4-5,7-8,11,21H,3H2,1-2H3,(H7-,16,17,18,22,23,24,25,26,27,28,29,30,31)/t5-,7-,8-,11-/m1/s1 | Definition date: | 2016-04-05 | Last modified: | 2019-09-04 | Release date: | 2017-05-10 | Identifier: | 2-amino-9-{5-O-[(R)-{[(S)-{dichloro[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2-O-methyl-beta-D-ribofuranosyl}-7-methyl-9H-purin-7-ium-6-olate |
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![4S4 4S4](https://data.pdbj.org/pdbjplus/data/cc/svg/4S4.svg) | 4S4 | Name: | N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine | Formula: | C14 H11 Br2 N3 O4 | SMILES: | C(=O)(c1nc(c(c1)Br)Br)Nc2ccc(C(=O)NCC(O)=O)cc2 | InChi: | InChI=1S/C14H11Br2N3O4/c15-9-5-10(19-12(9)16)14(23)18-8-3-1-7(2-4-8)13(22)17-6-11(20)21/h1-5,19H,6H2,(H,17,22)(H,18,23)(H,20,21) | Definition date: | 2015-05-19 | Last modified: | 2019-09-04 | Release date: | 2015-07-15 | Identifier: | N-(4-{[(4,5-dibromo-1H-pyrrol-2-yl)carbonyl]amino}benzoyl)glycine |
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![FHH FHH](https://data.pdbj.org/pdbjplus/data/cc/svg/FHH.svg) | FHH | Name: | methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate | Formula: | C14 H18 N2 O4 | SMILES: | COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O | InChi: | InChI=1S/C14H18N2O4/c1-20-12(17)6-3-7-15-13(18)10-8-9-4-2-5-11(9)16-14(10)19/h8H,2-7H2,1H3,(H,15,18)(H,16,19) | Definition date: | 2018-07-06 | Last modified: | 2019-09-04 | Release date: | 2019-01-30 | Identifier: | methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate |
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