![VH3 VH3](https://data.pdbj.org/pdbjplus/data/cc/svg/VH3.svg) | VH3 | Name: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[5-fluoranyl-2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C28 H36 F2 N4 O5 S | SMILES: | COc1cc(c(F)cc1[CH](C)NC(=O)[CH]2C[CH](O)CN2C(=O)[CH](NC(=O)C3(F)CC3)C(C)(C)C)c4scnc4C | InChi: | InChI=1S/C28H36F2N4O5S/c1-14(17-10-19(29)18(11-21(17)39-6)22-15(2)31-13-40-22)32-24(36)20-9-16(35)12-34(20)25(37)23(27(3,4)5)33-26(38)28(30)7-8-28/h10-11,13-14,16,20,23,35H,7-9,12H2,1-6H3,(H,32,36)(H,33,38)/t14-,16+,20-,23+/m0/s1 | Definition date: | 2023-03-06 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[5-fluoranyl-2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![T0Q T0Q](https://data.pdbj.org/pdbjplus/data/cc/svg/T0Q.svg) | T0Q | Name: | ~{N}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidic acid | Formula: | C15 H26 N5 O7 P | SMILES: | CN1CCN(C)C1N[P](O)(=O)OC[CH]2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O | InChi: | InChI=1S/C15H26N5O7P/c1-9-7-20(15(23)16-13(9)22)12-6-10(21)11(27-12)8-26-28(24,25)17-14-18(2)4-5-19(14)3/h7,10-12,14,21H,4-6,8H2,1-3H3,(H,16,22,23)(H2,17,24,25)/t10-,11+,12+/m0/s1 | Synonyms: | phosphoryl thymidine moiety, Sp-diastereomer | Definition date: | 2020-12-09 | Last modified: | 2023-09-22 | Release date: | 2021-01-13 | Identifier: | ~{N}-(1,3-dimethylimidazolidin-2-yl)-[[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy]phosphonamidic acid |
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![0BO 0BO](https://data.pdbj.org/pdbjplus/data/cc/svg/0BO.svg) | 0BO | Name: | N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide | Formula: | C30 H40 N4 O6 | SMILES: | O[CH]([CH](C[CH]1CCCNC1=O)NC(=O)[CH](CC2CCCCC2)NC(=O)c3oc4ccccc4c3)C(=O)NC5CC5 | InChi: | InChI=1S/C30H40N4O6/c35-26(30(39)32-21-12-13-21)22(16-20-10-6-14-31-27(20)36)33-28(37)23(15-18-7-2-1-3-8-18)34-29(38)25-17-19-9-4-5-11-24(19)40-25/h4-5,9,11,17-18,20-23,26,35H,1-3,6-8,10,12-16H2,(H,31,36)(H,32,39)(H,33,37)(H,34,38)/t20-,22-,23-,26+/m0/s1 | Definition date: | 2022-09-29 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | ~{N}-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide |
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![U9F U9F](https://data.pdbj.org/pdbjplus/data/cc/svg/U9F.svg) | U9F | Name: | {3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron | Formula: | C47 H46 B F3 I N9 O7 | SMILES: | F[B-]1(F)[N+]=2C(=Cc3ccc(c4ccc[NH]4)n31)C=CC=2CCC(=O)NCCOCCOCCC(=O)Nc1cccc(c1)N1C2=C(C)C(=O)N(C)C(Nc3ccc(I)cc3F)=C2C(=O)N(C1=O)C1CC1 | InChi: | InChI=1S/C47H46BF3IN9O7/c1-28-43-42(44(57(2)45(28)64)56-37-15-8-29(52)25-36(37)49)46(65)59(31-9-10-31)47(66)58(43)33-6-3-5-30(26-33)55-41(63)18-21-67-23-24-68-22-20-54-40(62)17-14-32-11-12-34-27-35-13-16-39(38-7-4-19-53-38)61(35)48(50,51)60(32)34/h3-8,11-13,15-16,19,25-27,31,53,56H,9-10,14,17-18,20-24H2,1-2H3,(H,54,62)(H,55,63) | Definition date: | 2023-08-30 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | {3-[(1M,2M)-2-{[(1S,2P)-1H,1'H-[2,2'-bipyrrol]-5-yl-kappaN~1~]methylidene}-2H-pyrrol-5-yl-kappaN]-N-(2-{2-[3-({(3M)-3-[(4aM)-3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2H)-yl]phenyl}amino)-3-oxopropoxy]ethoxy}ethyl)propanamidato}(difluorido)boron |
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![V3O V3O](https://data.pdbj.org/pdbjplus/data/cc/svg/V3O.svg) | V3O | Name: | N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide | Formula: | C15 H13 Cl N4 O S2 | SMILES: | CC(=O)Nc1nc(C)c(s1)c1csc(Nc2ccc(Cl)cc2)n1 | InChi: | InChI=1S/C15H13ClN4OS2/c1-8-13(23-15(17-8)18-9(2)21)12-7-22-14(20-12)19-11-5-3-10(16)4-6-11/h3-7H,1-2H3,(H,19,20)(H,17,18,21) | Definition date: | 2023-09-07 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | N-[(4P)-2-(4-chloroanilino)-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]acetamide |
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![VYQ VYQ](https://data.pdbj.org/pdbjplus/data/cc/svg/VYQ.svg) | VYQ | Name: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide | Formula: | C28 H37 F N4 O4 S | SMILES: | C[CH](NC(=O)[CH]1C[CH](O)CN1C(=O)[CH](NC(=O)C2(F)CC2)C(C)(C)C)c3ccc(cc3C)c4scnc4C | InChi: | InChI=1S/C28H37FN4O4S/c1-15-11-18(22-17(3)30-14-38-22)7-8-20(15)16(2)31-24(35)21-12-19(34)13-33(21)25(36)23(27(4,5)6)32-26(37)28(29)9-10-28/h7-8,11,14,16,19,21,23,34H,9-10,12-13H2,1-6H3,(H,31,35)(H,32,37)/t16-,19+,21-,23+/m0/s1 | Definition date: | 2023-04-13 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | (2~{S},4~{R})-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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![VYT VYT](https://data.pdbj.org/pdbjplus/data/cc/svg/VYT.svg) | VYT | Name: | Azo-Combretastatin A4 (trans) | Formula: | C16 H18 N2 O5 | SMILES: | COc1ccc(cc1O)N=Nc2cc(OC)c(OC)c(OC)c2 | InChi: | InChI=1S/C16H18N2O5/c1-20-13-6-5-10(7-12(13)19)17-18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9,19H,1-4H3/b18-17+ | Synonyms: | 2-methoxy-5-[(E)-(3,4,5-trimethoxyphenyl)diazenyl]phenol | Definition date: | 2023-09-20 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | 2-methoxy-5-[(~{E})-(3,4,5-trimethoxyphenyl)diazenyl]phenol |
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![SL9 SL9](https://data.pdbj.org/pdbjplus/data/cc/svg/SL9.svg) | SL9 | Name: | (2~{S})-2-acetamido-6-(2-sulfanylethanimidoylamino)hexanamide | Formula: | C10 H20 N4 O2 S | SMILES: | CC(=O)N[CH](CCCCNC(=N)CS)C(N)=O | InChi: | InChI=1S/C10H20N4O2S/c1-7(15)14-8(10(12)16)4-2-3-5-13-9(11)6-17/h8,17H,2-6H2,1H3,(H2,11,13)(H2,12,16)(H,14,15)/t8-/m0/s1 | Definition date: | 2022-12-15 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | (2~{S})-2-acetamido-6-(2-sulfanylethanimidoylamino)hexanamide |
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![KYI KYI](https://data.pdbj.org/pdbjplus/data/cc/svg/KYI.svg) | KYI | Name: | 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione | Formula: | C16 H12 N2 O2 | SMILES: | O=C1NC=C(C(=O)N1)c2ccccc2c3ccccc3 | InChi: | InChI=1S/C16H12N2O2/c19-15-14(10-17-16(20)18-15)13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-10H,(H2,17,18,19,20) | Definition date: | 2022-06-07 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | 5-(2-phenylphenyl)-1~{H}-pyrimidine-2,4-dione |
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![CKF CKF](https://data.pdbj.org/pdbjplus/data/cc/svg/CKF.svg) | CKF | Name: | 3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid | Formula: | C19 H20 N2 O6 S2 | SMILES: | CNC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3 | InChi: | InChI=1S/C19H20N2O6S2/c1-20-19(22)17-10-9-14(13-5-2-3-6-13)11-18(17)21-28(23,24)15-7-4-8-16(12-15)29(25,26)27/h4-5,7-12,21H,2-3,6H2,1H3,(H,20,22)(H,25,26,27) | Definition date: | 2022-04-04 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | 3-[[5-(cyclopenten-1-yl)-2-(methylcarbamoyl)phenyl]sulfamoyl]benzenesulfonic acid |
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![G7U G7U](https://data.pdbj.org/pdbjplus/data/cc/svg/G7U.svg) | G7U | Name: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide | Formula: | C23 H44 N3 O10 P | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C(O)CC(=O)CCCCCCCC | InChi: | InChI=1S/C23H44N3O10P/c1-4-5-6-7-8-9-10-17(27)15-18(28)21(31)26-14-13-24-19(29)11-12-25-22(32)20(30)23(2,3)16-36-37(33,34)35/h18,20,28,30H,4-16H2,1-3H3,(H,24,29)(H,25,32)(H,26,31)(H2,33,34,35)/t18-,20+/m1/s1 | Definition date: | 2023-04-27 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide |
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![H5X H5X](https://data.pdbj.org/pdbjplus/data/cc/svg/H5X.svg) | H5X | Name: | 3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid | Formula: | C19 H19 N O7 S2 | SMILES: | COC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3 | InChi: | InChI=1S/C19H19NO7S2/c1-27-19(21)17-10-9-14(13-5-2-3-6-13)11-18(17)20-28(22,23)15-7-4-8-16(12-15)29(24,25)26/h4-5,7-12,20H,2-3,6H2,1H3,(H,24,25,26) | Definition date: | 2022-05-20 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | 3-[[5-(cyclopenten-1-yl)-2-methoxycarbonyl-phenyl]sulfamoyl]benzenesulfonic acid |
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![H6I H6I](https://data.pdbj.org/pdbjplus/data/cc/svg/H6I.svg) | H6I | Name: | 4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid | Formula: | C18 H17 N O7 S2 | SMILES: | OC(=O)c1ccc(cc1N[S](=O)(=O)c2cccc(c2)[S](O)(=O)=O)C3=CCCC3 | InChi: | InChI=1S/C18H17NO7S2/c20-18(21)16-9-8-13(12-4-1-2-5-12)10-17(16)19-27(22,23)14-6-3-7-15(11-14)28(24,25)26/h3-4,6-11,19H,1-2,5H2,(H,20,21)(H,24,25,26) | Definition date: | 2022-05-20 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | 4-(cyclopenten-1-yl)-2-[(3-sulfophenyl)sulfonylamino]benzoic acid |
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![HJ6 HJ6](https://data.pdbj.org/pdbjplus/data/cc/svg/HJ6.svg) | HJ6 | Name: | 3-[3-[[2-[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-yl]-5-(methylcarbamoyl)benzimidazol-1-yl]methyl]azetidin-1-yl]sulfonylbenzenesulfonic acid | Formula: | C29 H29 N7 O9 S2 | SMILES: | CNC(=O)c1ccc2n(CC3CN(C3)[S](=O)(=O)c4cccc(c4)[S](O)(=O)=O)c(nc2c1)c5oc(Cn6nc(C)c(c6C)[N+]([O-])=O)cc5 | InChi: | InChI=1S/C29H29N7O9S2/c1-17-27(36(38)39)18(2)35(32-17)16-21-8-10-26(45-21)28-31-24-11-20(29(37)30-3)7-9-25(24)34(28)15-19-13-33(14-19)46(40,41)22-5-4-6-23(12-22)47(42,43)44/h4-12,19H,13-16H2,1-3H3,(H,30,37)(H,42,43,44) | Definition date: | 2022-05-26 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | 3-[3-[[2-[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-yl]-5-(methylcarbamoyl)benzimidazol-1-yl]methyl]azetidin-1-yl]sulfonylbenzenesulfonic acid |
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![IQ8 IQ8](https://data.pdbj.org/pdbjplus/data/cc/svg/IQ8.svg) | IQ8 | Name: | N-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide | Formula: | C14 H17 N3 O2 S | SMILES: | CC(=O)NCCNC(=O)c1ccc(cc1)C2=NCCS2 | InChi: | InChI=1S/C14H17N3O2S/c1-10(18)15-6-7-16-13(19)11-2-4-12(5-3-11)14-17-8-9-20-14/h2-5H,6-9H2,1H3,(H,15,18)(H,16,19) | Definition date: | 2022-07-08 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | ~{N}-(2-acetamidoethyl)-4-(4,5-dihydro-1,3-thiazol-2-yl)benzamide |
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![JRI JRI](https://data.pdbj.org/pdbjplus/data/cc/svg/JRI.svg) | JRI | Name: | (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide | Formula: | C20 H22 F N5 O2 | SMILES: | C[CH]1CN(C[CH](O1)C(=O)N[CH]2CNC[CH]2F)c3ccc(C#N)c4ncccc34 | InChi: | InChI=1S/C20H22FN5O2/c1-12-10-26(11-18(28-12)20(27)25-16-9-23-8-15(16)21)17-5-4-13(7-22)19-14(17)3-2-6-24-19/h2-6,12,15-16,18,23H,8-11H2,1H3,(H,25,27)/t12-,15-,16+,18-/m1/s1 | Definition date: | 2022-08-25 | Last modified: | 2023-09-22 | Release date: | 2023-09-27 | Identifier: | (2~{R},6~{R})-4-(8-cyanoquinolin-5-yl)-~{N}-[(3~{S},4~{R})-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide |
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![8LH 8LH](https://data.pdbj.org/pdbjplus/data/cc/svg/8LH.svg) | 8LH | Name: | [[(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})-2-methyl-3-oxidanyl-propanoate | Formula: | C14 H20 N5 O9 P | SMILES: | C[CH](CO)C(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C14H20N5O9P/c1-6(2-20)14(23)28-29(24,25)26-3-7-9(21)10(22)13(27-7)19-5-18-8-11(15)16-4-17-12(8)19/h4-7,9-10,13,20-22H,2-3H2,1H3,(H,24,25)(H2,15,16,17)/t6-,7-,9-,10-,13-/m1/s1 | Definition date: | 2017-02-09 | Last modified: | 2023-09-21 | Release date: | 2019-08-28 | Identifier: | [[(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})-2-methyl-3-oxidanyl-propanoate |
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![RTV RTV](https://data.pdbj.org/pdbjplus/data/cc/svg/RTV.svg) | RTV | Name: | 2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol | Formula: | C8 H15 N O5 | SMILES: | OC1C(C(NC(C)=O)COC1CO)O | InChi: | InChI=1S/C8H15NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7-,8-/m1/s1 | Definition date: | 2020-02-25 | Last modified: | 2023-09-20 | Release date: | 2020-07-29 | Identifier: | 2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol |
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![YYQ YYQ](https://data.pdbj.org/pdbjplus/data/cc/svg/YYQ.svg) | YYQ | Name: | 2-acetamido-2-deoxy-alpha-L-galactopyranose | Formula: | C8 H15 N O6 | SMILES: | O=C(NC1C(O)C(O)C(OC1O)CO)C | InChi: | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8+/m0/s1 | Synonyms: | N-acetyl-alpha-L-galactosamine | Definition date: | 2012-12-17 | Last modified: | 2023-09-20 | Release date: | 2020-07-29 | Identifier: | 2-(acetylamino)-2-deoxy-alpha-L-galactopyranose |
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![7UH 7UH](https://data.pdbj.org/pdbjplus/data/cc/svg/7UH.svg) | 7UH | Name: | Doxofylline | Formula: | C11 H14 N4 O4 | SMILES: | CN1C(=O)N(C)c2ncn(CC3OCCO3)c2C1=O | InChi: | InChI=1S/C11H14N4O4/c1-13-9-8(10(16)14(2)11(13)17)15(6-12-9)5-7-18-3-4-19-7/h6-7H,3-5H2,1-2H3 | Synonyms: | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione | Definition date: | 2021-10-27 | Last modified: | 2023-09-20 | Release date: | 2023-02-01 | Identifier: | 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethyl-purine-2,6-dione |
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![IBL IBL](https://data.pdbj.org/pdbjplus/data/cc/svg/IBL.svg) | IBL | Name: | Azo-Combretastatin A4 (cis) | Formula: | C16 H18 N2 O5 | SMILES: | COc1ccc(cc1O)N=Nc2cc(OC)c(OC)c(OC)c2 | InChi: | InChI=1S/C16H18N2O5/c1-20-13-6-5-10(7-12(13)19)17-18-11-8-14(21-2)16(23-4)15(9-11)22-3/h5-9,19H,1-4H3 | Synonyms: | 2-methoxy-5-[(Z)-(3,4,5-trimethoxyphenyl)diazenyl]phenol | Definition date: | 2022-03-08 | Last modified: | 2023-09-20 | Release date: | 2023-02-22 | Identifier: | 2-methoxy-5-[(3,4,5-trimethoxyphenyl)diazenyl]phenol |
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![IE5 IE5](https://data.pdbj.org/pdbjplus/data/cc/svg/IE5.svg) | IE5 | Name: | Biliverdine IX Alpha | Formula: | C33 H34 N4 O6 | SMILES: | Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C)C=C)C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C4C=C)C | InChi: | InChI=1S/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-,28-15- | Synonyms: | 3-[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid | Definition date: | 2022-06-27 | Last modified: | 2023-09-20 | Release date: | 2023-05-24 | Identifier: | 3-[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid |
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![PMW PMW](https://data.pdbj.org/pdbjplus/data/cc/svg/PMW.svg) | PMW | Name: | methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate | Formula: | C22 H23 Cl N4 O2 S | SMILES: | CC[CH]([CH]1N=C(c2ccc(Cl)cc2)c3c(C)c(C)sc3n4c(C)nnc14)C(=O)OC | InChi: | InChI=1S/C22H23ClN4O2S/c1-6-16(22(28)29-5)19-20-26-25-13(4)27(20)21-17(11(2)12(3)30-21)18(24-19)14-7-9-15(23)10-8-14/h7-10,16,19H,6H2,1-5H3/t16-,19+/m1/s1 | Definition date: | 2020-04-26 | Last modified: | 2023-09-18 | Release date: | 2020-05-27 | Identifier: | methyl (2~{R})-2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate |
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![O18 O18](https://data.pdbj.org/pdbjplus/data/cc/svg/O18.svg) | O18 | Name: | O-palmitoleoyl serine | Formula: | C19 H35 N O4 | SMILES: | CCCCCCC=CCCCCCCCC(=O)OC[CH](N)C(O)=O | InChi: | InChI=1S/C19H35NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)24-16-17(20)19(22)23/h7-8,17H,2-6,9-16,20H2,1H3,(H,22,23)/b8-7-/t17-/m0/s1 | Synonyms: | (2S)-2-azanyl-3-[(Z)-hexadec-9-enoyl]oxy-propanoic acid | Definition date: | 2020-01-17 | Last modified: | 2023-09-18 | Release date: | 2020-07-29 | Identifier: | (2~{S})-2-azanyl-3-[(~{Z})-hexadec-9-enoyl]oxy-propanoic acid |
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![WB8 WB8](https://data.pdbj.org/pdbjplus/data/cc/svg/WB8.svg) | WB8 | Name: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one | Formula: | C21 H22 N4 O S | SMILES: | O=C1NC(=NC1=Cc2ccc3ncsc3c2)NC45CC6CC(CC(C6)C4)C5 | InChi: | InChI=1S/C21H22N4OS/c26-19-17(6-12-1-2-16-18(7-12)27-11-22-16)23-20(24-19)25-21-8-13-3-14(9-21)5-15(4-13)10-21/h1-2,6-7,11,13-15H,3-5,8-10H2,(H2,23,24,25,26)/b17-6-/t13-,14+,15-,21- | Definition date: | 2023-05-10 | Last modified: | 2023-09-18 | Release date: | 2023-05-17 | Identifier: | (4~{Z})-2-(1-adamantylamino)-4-(1,3-benzothiazol-6-ylmethylidene)-1~{H}-imidazol-5-one |
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