![6FF 6FF](https://data.pdbj.org/pdbjplus/data/cc/svg/6FF.svg) | 6FF | Name: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide | Formula: | C18 H19 F N4 O5 S | SMILES: | c3(O)cc(c(C1=NNC(N1c2ccccc2F)=O)cc3S(=O)(=O)N(C)CCC)O | InChi: | InChI=1S/C18H19FN4O5S/c1-3-8-22(2)29(27,28)16-9-11(14(24)10-15(16)25)17-20-21-18(26)23(17)13-7-5-4-6-12(13)19/h4-7,9-10,24-25H,3,8H2,1-2H3,(H,21,26) | Definition date: | 2016-03-30 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide |
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![6FJ 6FJ](https://data.pdbj.org/pdbjplus/data/cc/svg/6FJ.svg) | 6FJ | Name: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide | Formula: | C21 H17 F N4 O5 | SMILES: | c1cccc(c1N4C(c3c(cc(O)c(C(=O)N(Cc2ccco2)C)c3)O)=NNC4=O)F | InChi: | InChI=1S/C21H17FN4O5/c1-25(11-12-5-4-8-31-12)20(29)14-9-13(17(27)10-18(14)28)19-23-24-21(30)26(19)16-7-3-2-6-15(16)22/h2-10,27-28H,11H2,1H3,(H,24,30) | Definition date: | 2016-03-30 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(furan-2-yl)methyl]-2,4-dihydroxy-N-methylbenzamide |
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![6G7 6G7](https://data.pdbj.org/pdbjplus/data/cc/svg/6G7.svg) | 6G7 | Name: | 5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one | Formula: | C14 H10 F N3 O3 | SMILES: | c3(cc(O)c(C=1N(C(=O)NN=1)c2c(F)cccc2)cc3)O | InChi: | InChI=1S/C14H10FN3O3/c15-10-3-1-2-4-11(10)18-13(16-17-14(18)21)9-6-5-8(19)7-12(9)20/h1-7,19-20H,(H,17,21) | Definition date: | 2016-04-05 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | 5-(2,4-dihydroxyphenyl)-4-(2-fluorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
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![6GC 6GC](https://data.pdbj.org/pdbjplus/data/cc/svg/6GC.svg) | 6GC | Name: | N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide | Formula: | C20 H21 F N4 O4 | SMILES: | c1c(c(F)ccc1)N2C(=NNC2=O)c3c(cc(c(c3)C(N(C)CCCC)=O)O)O | InChi: | InChI=1S/C20H21FN4O4/c1-3-4-9-24(2)19(28)13-10-12(16(26)11-17(13)27)18-22-23-20(29)25(18)15-8-6-5-7-14(15)21/h5-8,10-11,26-27H,3-4,9H2,1-2H3,(H,23,29) | Definition date: | 2016-04-05 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | N-butyl-5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methylbenzamide |
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![6GV 6GV](https://data.pdbj.org/pdbjplus/data/cc/svg/6GV.svg) | 6GV | Name: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide | Formula: | C18 H19 F N4 O5 S | SMILES: | c3(O)cc(c(C1=NNC(N1c2ccccc2F)=O)cc3S(=O)(=O)N(C)C(C)C)O | InChi: | InChI=1S/C18H19FN4O5S/c1-10(2)22(3)29(27,28)16-8-11(14(24)9-15(16)25)17-20-21-18(26)23(17)13-7-5-4-6-12(13)19/h4-10,24-25H,1-3H3,(H,21,26) | Definition date: | 2016-04-07 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | 5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide |
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![6GW 6GW](https://data.pdbj.org/pdbjplus/data/cc/svg/6GW.svg) | 6GW | Name: | 2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide | Formula: | C22 H20 N4 O4 S | SMILES: | c1c(c(C)ccc1)N2C(=NNC2=O)c3c(cc(c(c3)C(N(Cc4cccs4)C)=O)O)O | InChi: | InChI=1S/C22H20N4O4S/c1-13-6-3-4-8-17(13)26-20(23-24-22(26)30)15-10-16(19(28)11-18(15)27)21(29)25(2)12-14-7-5-9-31-14/h3-11,27-28H,12H2,1-2H3,(H,24,30) | Definition date: | 2016-04-07 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | 2,4-dihydroxy-N-methyl-5-[4-(2-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-N-[(thiophen-2-yl)methyl]benzamide |
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![6QX 6QX](https://data.pdbj.org/pdbjplus/data/cc/svg/6QX.svg) | 6QX | Name: | ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine | Formula: | C17 H24 N4 S | SMILES: | CN(C)[CH]1CC[CH](CC1)Nc2ncnc3sc4CCCc4c23 | InChi: | InChI=1S/C17H24N4S/c1-21(2)12-8-6-11(7-9-12)20-16-15-13-4-3-5-14(13)22-17(15)19-10-18-16/h10-12H,3-9H2,1-2H3,(H,18,19,20)/t11-,12- | Definition date: | 2016-05-26 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | ~{N}1-(7,8-dihydro-6~{H}-cyclopenta[2,3]thieno[2,4-~{c}]pyrimidin-1-yl)-~{N}4,~{N}4-dimethyl-cyclohexane-1,4-diamine |
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![6QY 6QY](https://data.pdbj.org/pdbjplus/data/cc/svg/6QY.svg) | 6QY | Name: | ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine | Formula: | C19 H29 N5 O | SMILES: | CN(C)[CH]1CC[CH](CC1)Nc2ncnc3[nH]cc(C4CCOCC4)c23 | InChi: | InChI=1S/C19H29N5O/c1-24(2)15-5-3-14(4-6-15)23-19-17-16(13-7-9-25-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H2,20,21,22,23)/t14-,15- | Definition date: | 2016-05-26 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | ~{N}4,~{N}4-dimethyl-~{N}1-[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]cyclohexane-1,4-diamine |
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![6QZ 6QZ](https://data.pdbj.org/pdbjplus/data/cc/svg/6QZ.svg) | 6QZ | Name: | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one | Formula: | C25 H36 N6 O2 | SMILES: | CN1[CH]2CCN(C[CH]2CC1=O)[CH]3CC[CH](CC3)Nc4ncnc5[nH]cc(C6CCOCC6)c45 | InChi: | InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m1/s1 | Definition date: | 2016-05-26 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | (3~{a}~{R},7~{a}~{S})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one |
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![6R0 6R0](https://data.pdbj.org/pdbjplus/data/cc/svg/6R0.svg) | 6R0 | Name: | (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one | Formula: | C25 H36 N6 O2 | SMILES: | CN1[CH]2CCN(C[CH]2CC1=O)[CH]3CC[CH](CC3)Nc4ncnc5[nH]cc(C6CCOCC6)c45 | InChi: | InChI=1S/C25H36N6O2/c1-30-21-6-9-31(14-17(21)12-22(30)32)19-4-2-18(3-5-19)29-25-23-20(16-7-10-33-11-8-16)13-26-24(23)27-15-28-25/h13,15-19,21H,2-12,14H2,1H3,(H2,26,27,28,29)/t17-,18-,19-,21+/m0/s1 | Definition date: | 2016-05-26 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | (3~{a}~{S},7~{a}~{R})-1-methyl-5-[4-[[5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-3,3~{a},4,6,7,7~{a}-hexahydropyrrolo[3,2-c]pyridin-2-one |
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![6R1 6R1](https://data.pdbj.org/pdbjplus/data/cc/svg/6R1.svg) | 6R1 | Name: | ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine | Formula: | C21 H31 N5 O2 | SMILES: | C1CC(CCO1)c2c[nH]c3ncnc(N[CH]4CC[CH](CC4)N5CCOCC5)c23 | InChi: | InChI=1S/C21H31N5O2/c1-3-17(26-7-11-28-12-8-26)4-2-16(1)25-21-19-18(15-5-9-27-10-6-15)13-22-20(19)23-14-24-21/h13-17H,1-12H2,(H2,22,23,24,25)/t16-,17- | Definition date: | 2016-05-26 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | ~{N}-(4-morpholin-4-ylcyclohexyl)-5-(oxan-4-yl)-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine |
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![7KD 7KD](https://data.pdbj.org/pdbjplus/data/cc/svg/7KD.svg) | 7KD | Name: | ~{N}-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide | Formula: | C20 H21 F3 N8 O3 S | SMILES: | CNC(=O)c1ccc(Nc2ncc(c(NCc3nccnc3N(C)[S](C)(=O)=O)n2)C(F)(F)F)cc1 | InChi: | InChI=1S/C20H21F3N8O3S/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30) | Definition date: | 2016-11-04 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | ~{N}-methyl-4-[[4-[[3-[methyl(methylsulfonyl)amino]pyrazin-2-yl]methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide |
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![7N4 7N4](https://data.pdbj.org/pdbjplus/data/cc/svg/7N4.svg) | 7N4 | Name: | {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid | Formula: | C13 H11 B Cl F O2 | SMILES: | B(c1cc(c(cc1)OCc2ccccc2F)Cl)O | InChi: | InChI=1S/C13H11BClFO2/c15-11-7-10(14-17)5-6-13(11)18-8-9-3-1-2-4-12(9)16/h1-7,14,17H,8H2 | Definition date: | 2016-11-21 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | {3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid |
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![7NJ 7NJ](https://data.pdbj.org/pdbjplus/data/cc/svg/7NJ.svg) | 7NJ | Name: | (3-bromo-4-methylphenyl)boronic acid | Formula: | C7 H8 B Br O2 | SMILES: | Brc1c(ccc(c1)B(O)O)C | InChi: | InChI=1S/C7H8BBrO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,10-11H,1H3 | Definition date: | 2016-11-21 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | (3-bromo-4-methylphenyl)boronic acid |
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![7NM 7NM](https://data.pdbj.org/pdbjplus/data/cc/svg/7NM.svg) | 7NM | Name: | [3-(benzyloxy)-4-methylphenyl]borinic acid | Formula: | C14 H15 B O2 | SMILES: | Cc2c(OCc1ccccc1)cc(cc2)BO | InChi: | InChI=1S/C14H15BO2/c1-11-7-8-13(15-16)9-14(11)17-10-12-5-3-2-4-6-12/h2-9,15-16H,10H2,1H3 | Definition date: | 2016-11-21 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | [3-(benzyloxy)-4-methylphenyl]borinic acid |
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![7PJ 7PJ](https://data.pdbj.org/pdbjplus/data/cc/svg/7PJ.svg) | 7PJ | Name: | [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid | Formula: | C7 H7 N5 O3 S | SMILES: | c21c(nc(n1)SCC(O)=O)N=C(N)NC2=O | InChi: | InChI=1S/C7H7N5O3S/c8-6-10-4-3(5(15)12-6)9-7(11-4)16-1-2(13)14/h1H2,(H,13,14)(H4,8,9,10,11,12,15) | Definition date: | 2016-11-28 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | [(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid |
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![7PM 7PM](https://data.pdbj.org/pdbjplus/data/cc/svg/7PM.svg) | 7PM | Name: | (2R)-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl](phenyl)acetic acid | Formula: | C13 H11 N5 O3 S | SMILES: | c1ccc(cc1)C(C(O)=O)Sc3nc2c(C(NC(N)=N2)=O)n3 | InChi: | InChI=1S/C13H11N5O3S/c14-12-16-9-7(10(19)18-12)15-13(17-9)22-8(11(20)21)6-4-2-1-3-5-6/h1-5,8H,(H,20,21)(H4,14,15,16,17,18,19)/t8-/m1/s1 | Definition date: | 2016-11-28 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | (2R)-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl](phenyl)acetic acid |
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![7PS 7PS](https://data.pdbj.org/pdbjplus/data/cc/svg/7PS.svg) | 7PS | Name: | 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide | Formula: | C8 H10 N6 O2 S | SMILES: | c21c(nc(SCC(=O)NC)n1)N=C(N)NC2=O | InChi: | InChI=1S/C8H10N6O2S/c1-10-3(15)2-17-8-11-4-5(13-8)12-7(9)14-6(4)16/h2H2,1H3,(H,10,15)(H4,9,11,12,13,14,16) | Definition date: | 2016-11-28 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | 2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-methylacetamide |
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![7PV 7PV](https://data.pdbj.org/pdbjplus/data/cc/svg/7PV.svg) | 7PV | Name: | 4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide | Formula: | C13 H14 N6 O3 S2 | SMILES: | c3(CCSc2nc1c(C(NC(N)=N1)=O)n2)ccc(cc3)S(N)(=O)=O | InChi: | InChI=1S/C13H14N6O3S2/c14-12-17-10-9(11(20)19-12)16-13(18-10)23-6-5-7-1-3-8(4-2-7)24(15,21)22/h1-4H,5-6H2,(H2,15,21,22)(H4,14,16,17,18,19,20) | Definition date: | 2016-11-28 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | 4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide |
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![7RM 7RM](https://data.pdbj.org/pdbjplus/data/cc/svg/7RM.svg) | 7RM | Name: | 5'-O-(acetylsulfamoyl)adenosine | Formula: | C12 H16 N6 O7 S | SMILES: | CC(NS(=O)(=O)OCC3C(O)C(O)C(n2cnc1c2ncnc1N)O3)=O | InChi: | InChI=1S/C12H16N6O7S/c1-5(19)17-26(22,23)24-2-6-8(20)9(21)12(25-6)18-4-16-7-10(13)14-3-15-11(7)18/h3-4,6,8-9,12,20-21H,2H2,1H3,(H,17,19)(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | Definition date: | 2016-12-01 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | 5'-O-(acetylsulfamoyl)adenosine |
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![7YU 7YU](https://data.pdbj.org/pdbjplus/data/cc/svg/7YU.svg) | 7YU | Name: | (+)-Yatakemycin | Formula: | C35 H29 N5 O8 S | SMILES: | COc1cc2[nH]c(cc2cc1O)C(=O)N3C[CH]4C[C]45C3=CC(=O)c6[nH]c(cc56)C(=O)N7CCc8c9cc([nH]c9c(OC)c(O)c78)C(=O)SC | InChi: | InChI=1S/C35H29N5O8S/c1-47-25-10-19-14(7-23(25)41)6-20(36-19)33(45)40-13-15-12-35(15)18-9-21(37-28(18)24(42)11-26(35)40)32(44)39-5-4-16-17-8-22(34(46)49-3)38-27(17)31(48-2)30(43)29(16)39/h6-11,15,36-38,41,43H,4-5,12-13H2,1-3H3/t15-,35-/m1/s1 | Definition date: | 2017-02-21 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 |
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![83L 83L](https://data.pdbj.org/pdbjplus/data/cc/svg/83L.svg) | 83L | Name: | 10,20-Diphenyl-5,15-diaza-porphyrin containing FE | Formula: | C30 H18 Fe N6 | SMILES: | [Fe]1[N]2C3=NC4=NC(=C(c5ccccc5)c6ccc(N=C7C=CC(=N7)C(=C2C=C3)c8ccccc8)n16)C=C4 | InChi: | InChI=1S/C30H18N6.Fe/c1-3-7-19(8-4-1)29-21-11-15-25(31-21)35-27-17-13-23(33-27)30(20-9-5-2-6-10-20)24-14-18-28(34-24)36-26-16-12-22(29)32-26 | Definition date: | 2017-03-31 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 |
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![RCH RCH](https://data.pdbj.org/pdbjplus/data/cc/svg/RCH.svg) | RCH | Name: | N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide | Formula: | C32 H31 N3 O5 S | SMILES: | Cc1cc(cc(n1)C#Cc2ccc3c(oc4c3C(=O)c5ccc(N[S](C)(=O)=O)cc5C4(C)C)c2)C(=O)NC(C)(C)C | InChi: | InChI=1S/C32H31N3O5S/c1-18-14-20(30(37)34-31(2,3)4)16-21(33-18)10-8-19-9-12-24-26(15-19)40-29-27(24)28(36)23-13-11-22(35-41(7,38)39)17-25(23)32(29,5)6/h9,11-17,35H,1-7H3,(H,34,37) | Definition date: | 2016-12-06 | Last modified: | 2017-12-01 | Release date: | 2017-12-06 | Identifier: | ~{N}-~{tert}-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide |
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![RSE RSE](https://data.pdbj.org/pdbjplus/data/cc/svg/RSE.svg) | RSE | Name: | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate | Formula: | C12 H21 N5 O13 P3 Se | SMILES: | CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P]([SeH])(=O)O[P](O)(O)=O)O[CH]1n2c[n+](C)c3C(=O)NC(=Nc23)N | InChi: | InChI=1S/C12H20N5O13P3Se/c1-16-4-17(9-6(16)10(19)15-12(13)14-9)11-8(26-2)7(18)5(28-11)3-27-32(23,24)30-33(25,34)29-31(20,21)22/h4-5,7-8,11,18H,3H2,1-2H3,(H6-,13,14,15,19,20,21,22,23,24,25,34)/p+1/t5-,7-,8-,11-,33-/m1/s1 | Definition date: | 2016-10-28 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-7-ium-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl [phosphonooxy(selanyl)phosphoryl] hydrogen phosphate |
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![HLY HLY](https://data.pdbj.org/pdbjplus/data/cc/svg/HLY.svg) | HLY | Name: | (3~{R})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid | Formula: | C12 H22 N2 O6 | SMILES: | C[C](O)(CC(O)=O)CC(=O)NCCCC[CH](N)C(O)=O | InChi: | InChI=1S/C12H22N2O6/c1-12(20,7-10(16)17)6-9(15)14-5-3-2-4-8(13)11(18)19/h8,20H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8-,12+/m0/s1 | Definition date: | 2017-07-22 | Last modified: | 2017-11-24 | Release date: | 2017-11-29 | Identifier: | (3~{R})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid |
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