![BJT BJT](https://data.pdbj.org/pdbjplus/data/cc/svg/BJT.svg) | BJT | Name: | [(2~{R},3~{S},4~{S})-2-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate | Formula: | C26 H56 O34 P4 | SMILES: | OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C26H56O34P4/c27-1-10(29)19(36)12(31)4-53-62(46,47)54-5-14(33)21(38)15(34)6-55-63(48,49)57-8-16(35)22(39)18(60-26-25(42)24(41)23(40)17(2-28)59-26)9-58-64(50,51)56-7-13(32)20(37)11(30)3-52-61(43,44)45/h10-42H,1-9H2,(H,46,47)(H,48,49)(H,50,51)(H2,43,44,45)/t10-,11+,12+,13-,14-,15+,16-,17-,18+,19-,20+,21-,22-,23-,24+,25-,26-/m0/s1 | Definition date: | 2021-12-08 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | [(2~{R},3~{S},4~{S})-2-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate |
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![T3X T3X](https://data.pdbj.org/pdbjplus/data/cc/svg/T3X.svg) | T3X | Name: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide | Formula: | C29 H27 F3 N6 O | SMILES: | FC(F)(F)c1cc(ccc1CN1CCN(C)CC1)NC(=O)c1cc(C#Cc2cc3cn[NH]c3nc2)c(C)cc1 | InChi: | InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36) | Definition date: | 2023-08-28 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-[(1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]benzamide |
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![IYQ IYQ](https://data.pdbj.org/pdbjplus/data/cc/svg/IYQ.svg) | IYQ | Name: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide | Formula: | C14 H13 Cl N6 O | SMILES: | CNc1nc(Cl)nc2n(Cc3cccc(c3)C(N)=O)cnc12 | InChi: | InChI=1S/C14H13ClN6O/c1-17-12-10-13(20-14(15)19-12)21(7-18-10)6-8-3-2-4-9(5-8)11(16)22/h2-5,7H,6H2,1H3,(H2,16,22)(H,17,19,20) | Definition date: | 2023-08-04 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide |
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![IZJ IZJ](https://data.pdbj.org/pdbjplus/data/cc/svg/IZJ.svg) | IZJ | Name: | methyl 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoate | Formula: | | SMILES: | CNc1nc(Cl)nc2n(Cc3cccc(c3)C(=O)OC)cnc12 | InChi: | InChI=1S/C15H14ClN5O2/c1-17-12-11-13(20-15(16)19-12)21(8-18-11)7-9-4-3-5-10(6-9)14(22)23-2/h3-6,8H,7H2,1-2H3,(H,17,19,20) | Definition date: | 2023-08-04 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | methyl 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoate |
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![J7L J7L](https://data.pdbj.org/pdbjplus/data/cc/svg/J7L.svg) | J7L | Name: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide | Formula: | C15 H15 Cl N6 O | SMILES: | CNC(=O)c1cccc(Cn2cnc3c(NC)nc(Cl)nc23)c1 | InChi: | InChI=1S/C15H15ClN6O/c1-17-12-11-13(21-15(16)20-12)22(8-19-11)7-9-4-3-5-10(6-9)14(23)18-2/h3-6,8H,7H2,1-2H3,(H,18,23)(H,17,20,21) | Definition date: | 2023-08-07 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide |
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![U7F U7F](https://data.pdbj.org/pdbjplus/data/cc/svg/U7F.svg) | U7F | Name: | [(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-2-yl]phosphonic acid | Formula: | C13 H17 F3 N O4 P | SMILES: | CC(C)C[CH](C(=O)Nc1ccc(cc1)C(F)(F)F)[P](O)(O)=O | InChi: | InChI=1S/C13H17F3NO4P/c1-8(2)7-11(22(19,20)21)12(18)17-10-5-3-9(4-6-10)13(14,15)16/h3-6,8,11H,7H2,1-2H3,(H,17,18)(H2,19,20,21)/t11-/m1/s1 | Definition date: | 2023-01-27 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | [(2~{R})-4-methyl-1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]pentan-2-yl]phosphonic acid |
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![JBD JBD](https://data.pdbj.org/pdbjplus/data/cc/svg/JBD.svg) | JBD | Name: | ~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide | Formula: | C14 H14 Cl2 N6 O2 S | SMILES: | CNc1nc(Cl)nc2n(Cc3cc(Cl)ccc3N[S](C)(=O)=O)cnc12 | InChi: | InChI=1S/C14H14Cl2N6O2S/c1-17-12-11-13(20-14(16)19-12)22(7-18-11)6-8-5-9(15)3-4-10(8)21-25(2,23)24/h3-5,7,21H,6H2,1-2H3,(H,17,19,20) | Definition date: | 2023-08-07 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | ~{N}-[4-chloranyl-2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide |
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![FKX FKX](https://data.pdbj.org/pdbjplus/data/cc/svg/FKX.svg) | FKX | Name: | 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid | Formula: | C12 H14 N2 O3 | SMILES: | O=C(O)c1ccc2NC(=O)N(CC(C)C)c2c1 | InChi: | InChI=1S/C12H14N2O3/c1-7(2)6-14-10-5-8(11(15)16)3-4-9(10)13-12(14)17/h3-5,7H,6H2,1-2H3,(H,13,17)(H,15,16) | Definition date: | 2023-07-20 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 3-(2-methylpropyl)-2-oxo-2,3-dihydro-1H-benzimidazole-5-carboxylic acid |
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![LN3 LN3](https://data.pdbj.org/pdbjplus/data/cc/svg/LN3.svg) | LN3 | Name: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid | Formula: | C40 H52 N6 O17 S | SMILES: | OC(=O)C[CH](NC(=O)[CH](CC(O)=O)NC(=O)[CH](CC(O)=O)NC(=O)CCCCCCCCCCCN(CC(O)=O)C(=O)CCC(=O)Nc1sc(cn1)c2ccc(cc2)C(O)=O)C(O)=O | InChi: | InChI=1S/C40H52N6O17S/c47-29(42-25(18-32(50)51)36(58)43-26(19-33(52)53)37(59)44-27(39(62)63)20-34(54)55)10-8-6-4-2-1-3-5-7-9-17-46(22-35(56)57)31(49)16-15-30(48)45-40-41-21-28(64-40)23-11-13-24(14-12-23)38(60)61/h11-14,21,25-27H,1-10,15-20,22H2,(H,42,47)(H,43,58)(H,44,59)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,60,61)(H,62,63)(H,41,45,48)/t25-,26-,27-/m0/s1 | Definition date: | 2023-08-21 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid |
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![I9V I9V](https://data.pdbj.org/pdbjplus/data/cc/svg/I9V.svg) | I9V | Name: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid | Formula: | C14 H16 Cl N5 O4 S | SMILES: | CC(C)(N[S](=O)(=O)c1ccc2c(Cl)cnc(NC(N)=N)c2c1)C(O)=O | InChi: | InChI=1S/C14H16ClN5O4S/c1-14(2,12(21)22)20-25(23,24)7-3-4-8-9(5-7)11(19-13(16)17)18-6-10(8)15/h3-6,20H,1-2H3,(H,21,22)(H4,16,17,18,19) | Synonyms: | UK-371804 | Definition date: | 2022-06-20 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 2-[(1-carbamimidamido-4-chloranyl-isoquinolin-7-yl)sulfonylamino]-2-methyl-propanoic acid |
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![KKO KKO](https://data.pdbj.org/pdbjplus/data/cc/svg/KKO.svg) | KKO | Name: | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide | Formula: | C23 H22 Cl2 N4 O3 S | SMILES: | COc1ccncc1C(=O)N2CCN([CH](C2)C(=O)NCc3sccc3)c4ccc(Cl)c(Cl)c4 | InChi: | InChI=1S/C23H22Cl2N4O3S/c1-32-21-6-7-26-13-17(21)23(31)28-8-9-29(15-4-5-18(24)19(25)11-15)20(14-28)22(30)27-12-16-3-2-10-33-16/h2-7,10-11,13,20H,8-9,12,14H2,1H3,(H,27,30)/t20-/m0/s1 | Definition date: | 2023-08-15 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | (2~{S})-1-(3,4-dichlorophenyl)-4-(4-methoxypyridin-3-yl)carbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide |
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![AV0 AV0](https://data.pdbj.org/pdbjplus/data/cc/svg/AV0.svg) | AV0 | Name: | Lauryl Maltose Neopentyl Glycol | Formula: | C47 H88 O22 | SMILES: | C2(C(C(O)C(OC1OC(CO)C(O)C(O)C1O)C(CO)O2)O)OCC(CCCCCCCCCC)(CCCCCCCCCC)COC4OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O | InChi: | InChI=1S/C47H88O22/c1-3-5-7-9-11-13-15-17-19-47(20-18-16-14-12-10-8-6-4-2,25-62-43-39(60)35(56)41(29(23-50)66-43)68-45-37(58)33(54)31(52)27(21-48)64-45)26-63-44-40(61)36(57)42(30(24-51)67-44)69-46-38(59)34(55)32(53)28(22-49)65-46/h27-46,48-61H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32-,33+,34+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m1/s1 | Synonyms: | 2,2-didecylpropane-1,3-bis-b-D-maltopyranoside | Definition date: | 2018-11-21 | Last modified: | 2023-12-01 | Release date: | 2019-03-27 | Identifier: | 2-decyl-2-{[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]methyl}dodecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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![JIB JIB](https://data.pdbj.org/pdbjplus/data/cc/svg/JIB.svg) | JIB | Name: | 4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid | Formula: | C14 H12 Cl N5 O2 | SMILES: | CNc1nc(Cl)nc2n(Cc3ccc(cc3)C(O)=O)cnc12 | InChi: | InChI=1S/C14H12ClN5O2/c1-16-11-10-12(19-14(15)18-11)20(7-17-10)6-8-2-4-9(5-3-8)13(21)22/h2-5,7H,6H2,1H3,(H,21,22)(H,16,18,19) | Definition date: | 2023-08-07 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 4-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzoic acid |
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![JIR JIR](https://data.pdbj.org/pdbjplus/data/cc/svg/JIR.svg) | JIR | Name: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile | Formula: | C14 H11 Cl N6 | SMILES: | CNc1nc(Cl)nc2n(Cc3cccc(c3)C#N)cnc12 | InChi: | InChI=1S/C14H11ClN6/c1-17-12-11-13(20-14(15)19-12)21(8-18-11)7-10-4-2-3-9(5-10)6-16/h2-5,8H,7H2,1H3,(H,17,19,20) | Definition date: | 2023-08-07 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile |
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![JNC JNC](https://data.pdbj.org/pdbjplus/data/cc/svg/JNC.svg) | JNC | Name: | 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | Formula: | C13 H11 Cl2 N5 | SMILES: | CNc1nc(Cl)nc2c(Cc3cccc(Cl)c3)[nH]nc12 | InChi: | InChI=1S/C13H11Cl2N5/c1-16-12-11-10(17-13(15)18-12)9(19-20-11)6-7-3-2-4-8(14)5-7/h2-5H,6H2,1H3,(H,19,20)(H,16,17,18) | Definition date: | 2023-08-08 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
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![IT6 IT6](https://data.pdbj.org/pdbjplus/data/cc/svg/IT6.svg) | IT6 | Name: | 2-chloranyl-~{N},9-dimethyl-purin-6-amine | Formula: | C7 H8 Cl N5 | SMILES: | CNc1nc(Cl)nc2n(C)cnc12 | InChi: | InChI=1S/C7H8ClN5/c1-9-5-4-6(12-7(8)11-5)13(2)3-10-4/h3H,1-2H3,(H,9,11,12) | Definition date: | 2023-08-03 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 2-chloranyl-~{N},9-dimethyl-purin-6-amine |
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![ITJ ITJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ITJ.svg) | ITJ | Name: | 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine | Formula: | C7 H8 Cl N5 | SMILES: | CNc1nc(Cl)nc2c(C)n[nH]c12 | InChi: | InChI=1S/C7H8ClN5/c1-3-4-5(13-12-3)6(9-2)11-7(8)10-4/h1-2H3,(H,12,13)(H,9,10,11) | Definition date: | 2023-08-03 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine |
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![IUQ IUQ](https://data.pdbj.org/pdbjplus/data/cc/svg/IUQ.svg) | IUQ | Name: | 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine | Formula: | C11 H14 Cl N5 O | SMILES: | CNc1nc(Cl)nc2n(cnc12)[CH]3CCCCO3 | InChi: | InChI=1S/C11H14ClN5O/c1-13-9-8-10(16-11(12)15-9)17(6-14-8)7-4-2-3-5-18-7/h6-7H,2-5H2,1H3,(H,13,15,16) | Definition date: | 2023-08-03 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine |
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![IV6 IV6](https://data.pdbj.org/pdbjplus/data/cc/svg/IV6.svg) | IV6 | Name: | 3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid | Formula: | C13 H10 Cl N5 O2 | SMILES: | CNc1nc(Cl)nc2n(cnc12)c3cccc(c3)C(O)=O | InChi: | InChI=1S/C13H10ClN5O2/c1-15-10-9-11(18-13(14)17-10)19(6-16-9)8-4-2-3-7(5-8)12(20)21/h2-6H,1H3,(H,20,21)(H,15,17,18) | Definition date: | 2023-08-03 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | 3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid |
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![IW0 IW0](https://data.pdbj.org/pdbjplus/data/cc/svg/IW0.svg) | IW0 | Name: | ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide | Formula: | C14 H15 Cl N6 O2 S | SMILES: | CNc1nc(Cl)nc2n(Cc3ccccc3N[S](C)(=O)=O)cnc12 | InChi: | InChI=1S/C14H15ClN6O2S/c1-16-12-11-13(19-14(15)18-12)21(8-17-11)7-9-5-3-4-6-10(9)20-24(2,22)23/h3-6,8,20H,7H2,1-2H3,(H,16,18,19) | Definition date: | 2023-08-03 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]methanesulfonamide |
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![IWV IWV](https://data.pdbj.org/pdbjplus/data/cc/svg/IWV.svg) | IWV | Name: | ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide | Formula: | C15 H12 Cl F3 N6 O | SMILES: | CNc1nc(Cl)nc2n(Cc3ccccc3NC(=O)C(F)(F)F)cnc12 | InChi: | InChI=1S/C15H12ClF3N6O/c1-20-11-10-12(24-14(16)23-11)25(7-21-10)6-8-4-2-3-5-9(8)22-13(26)15(17,18)19/h2-5,7H,6H2,1H3,(H,22,26)(H,20,23,24) | Definition date: | 2023-08-03 | Last modified: | 2023-12-01 | Release date: | 2023-12-06 | Identifier: | ~{N}-[2-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]phenyl]-2,2,2-tris(fluoranyl)ethanamide |
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![SRM SRM](https://data.pdbj.org/pdbjplus/data/cc/svg/SRM.svg) | SRM | Name: | SIROHEME | Formula: | C42 H44 Fe N4 O16 | SMILES: | O=C(O)CCC=6C7=Cc1c(c(c2n1[Fe]84N5C(=CC3=C(CCC(=O)O)C(C(=C2)N34)(C)CC(=O)O)C(C(=C5C=C(C=6CC(=O)O)N78)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O | InChi: | InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29 | Definition date: | 1999-07-08 | Last modified: | 2023-11-29 | Identifier: | {3,3',3'',3'''-[(8S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}iron |
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![EXA EXA](https://data.pdbj.org/pdbjplus/data/cc/svg/EXA.svg) | EXA | Name: | N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine | Formula: | C17 H27 N4 O9 P | SMILES: | Oc1c(C(N=C(/C)C(=O)O)NCCCCC(N)C(=O)O)c(cnc1C)COP(=O)(O)O | InChi: | InChI=1S/C17H27N4O9P/c1-9-14(22)13(11(7-20-9)8-30-31(27,28)29)15(21-10(2)16(23)24)19-6-4-3-5-12(18)17(25)26/h7,12,15,19,22H,3-6,8,18H2,1-2H3,(H,23,24)(H,25,26)(H2,27,28,29)/b21-10+/t12-,15+/m0/s1 | Definition date: | 2017-03-01 | Last modified: | 2023-11-27 | Release date: | 2018-03-07 | Identifier: | N~6~-[(R)-[(E)-(1-carboxyethylidene)amino]{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl]-L-lysine |
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![XKE XKE](https://data.pdbj.org/pdbjplus/data/cc/svg/XKE.svg) | XKE | Name: | (1~{R},3~{a}~{R},6~{a}~{R})-4-phenyl-3~{a}-(1-phenylethenyl)-5-[9-(1~{H}-1,2,3,4-tetrazol-5-yl)nonyl]-2,3,6,6~{a}-tetrahydro-1~{H}-pentalen-1-ol | Formula: | C32 H40 N4 O | SMILES: | C=C(c1ccccc1)C12CCC(O)C2CC(CCCCCCCCCc2nnn[NH]2)=C1c1ccccc1 | InChi: | InChI=1S/C32H40N4O/c1-24(25-15-10-7-11-16-25)32-22-21-29(37)28(32)23-27(31(32)26-17-12-8-13-18-26)19-9-5-3-2-4-6-14-20-30-33-35-36-34-30/h7-8,10-13,15-18,28-29,37H,1-6,9,14,19-23H2,(H,33,34,35,36)/t28-,29+,32-/m0/s1 | Definition date: | 2022-11-23 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (1R,3aR,6aR)-4-phenyl-3a-(1-phenylethenyl)-5-[9-(1H-tetrazol-5-yl)nonyl]-1,2,3,3a,6,6a-hexahydropentalen-1-ol (non-preferred name) |
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![W5W W5W](https://data.pdbj.org/pdbjplus/data/cc/svg/W5W.svg) | W5W | Name: | (1S,2S,11aS)-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11a-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione | Formula: | C18 H20 O7 | SMILES: | CO[C]1(C)[CH](O)C(=O)C(=C2OC(=O)c3c(C)cc(O)c(C)c3O[CH]12)C | InChi: | InChI=1S/C18H20O7/c1-7-6-10(19)8(2)13-11(7)17(22)25-14-9(3)12(20)15(21)18(4,23-5)16(14)24-13/h6,15-16,19,21H,1-5H3/t15-,16+,18+/m1/s1 | Definition date: | 2023-05-03 | Last modified: | 2023-11-24 | Release date: | 2023-11-29 | Identifier: | (1~{S},2~{S},11~{a}~{S})-1-methoxy-1,4,7,10-tetramethyl-2,9-bis(oxidanyl)-2,11~{a}-dihydrobenzo[b][1,4]benzodioxepine-3,6-dione |
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