![42K 42K](https://data.pdbj.org/pdbjplus/data/cc/svg/42K.svg) | 42K | Name: | 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide | Formula: | C14 H11 N7 O3 S | SMILES: | N[S](=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4[nH]nnc4c23)cc1 | InChi: | InChI=1S/C14H11N7O3S/c15-25(23,24)8-3-1-7(2-4-8)17-19-13-11-9(16-14(13)22)5-6-10-12(11)20-21-18-10/h1-6,17H,(H2,15,23,24)(H,16,19,22)(H,18,20,21) | Definition date: | 2012-06-15 | Last modified: | 2016-11-21 | Identifier: | 4-[(2Z)-2-(7-oxidanylidene-3,6-dihydropyrrolo[3,2-e]benzotriazol-8-ylidene)hydrazinyl]benzenesulfonamide |
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![TQL TQL](https://data.pdbj.org/pdbjplus/data/cc/svg/TQL.svg) | TQL | Name: | 4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol | Formula: | C12 H10 N2 O3 | SMILES: | ON=C(c1cccnc1)c2ccc(O)cc2O | InChi: | InChI=1S/C12H10N2O3/c15-9-3-4-10(11(16)6-9)12(14-17)8-2-1-5-13-7-8/h1-7,15-17H/b14-12+ | Definition date: | 2015-11-13 | Last modified: | 2016-11-18 | Release date: | 2016-11-23 | Identifier: | 4-[(E)-N-oxidanyl-C-pyridin-3-yl-carbonimidoyl]benzene-1,3-diol |
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![9RB 9RB](https://data.pdbj.org/pdbjplus/data/cc/svg/9RB.svg) | 9RB | Name: | (2E)-N-hydroxy-3-{4-[(E)-(1,3,5-trimethyl-1H-pyrazol-4-yl)diazenyl]phenyl}prop-2-enamide | Formula: | C15 H17 N5 O2 | SMILES: | Cn1nc(C)c(N=Nc2ccc(C=CC(=O)NO)cc2)c1C | InChi: | InChI=1S/C15H17N5O2/c1-10-15(11(2)20(3)18-10)17-16-13-7-4-12(5-8-13)6-9-14(21)19-22/h4-9,22H,1-3H3,(H,19,21)/b9-6+,17-16+ | Definition date: | 2016-03-23 | Last modified: | 2016-11-18 | Release date: | 2016-11-23 | Identifier: | (~{E})-~{N}-oxidanyl-3-[4-[(~{E})-(1,3,5-trimethylpyrazol-4-yl)diazenyl]phenyl]prop-2-enamide |
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![C65 C65](https://data.pdbj.org/pdbjplus/data/cc/svg/C65.svg) | C65 | Name: | (2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide | Formula: | C15 H13 N3 O2 | SMILES: | c1cccc(c1)N=Nc2ccc(cc2)C=CC(NO)=O | InChi: | InChI=1S/C15H13N3O2/c19-15(18-20)11-8-12-6-9-14(10-7-12)17-16-13-4-2-1-3-5-13/h1-11,20H,(H,18,19)/b11-8+,17-16+ | Definition date: | 2016-05-04 | Last modified: | 2016-11-18 | Release date: | 2016-11-23 | Identifier: | (2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide |
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![6UN 6UN](https://data.pdbj.org/pdbjplus/data/cc/svg/6UN.svg) | 6UN | Name: | (3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid | Formula: | C6 H6 O4 | SMILES: | OC=CC=CC(=O)C(O)=O | InChi: | InChI=1S/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,7H,(H,9,10)/b3-1+,4-2+ | Definition date: | 2016-06-27 | Last modified: | 2016-11-04 | Release date: | 2016-11-09 | Identifier: | (3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid |
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![6TO 6TO](https://data.pdbj.org/pdbjplus/data/cc/svg/6TO.svg) | 6TO | Name: | (3~{R},4~{S},5~{R})-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid | Formula: | C16 H16 O7 | SMILES: | O[CH]1CC(=C[CH](OC(=O)C=Cc2ccc(O)cc2)[CH]1O)C(O)=O | InChi: | InChI=1S/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-6,8,12-13,15,17-18,20H,7H2,(H,21,22)/b6-3+/t12-,13-,15+/m1/s1 | Definition date: | 2016-06-21 | Last modified: | 2016-10-28 | Release date: | 2016-11-02 | Identifier: | (3~{R},4~{S},5~{R})-3-[(~{E})-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid |
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![5LL 5LL](https://data.pdbj.org/pdbjplus/data/cc/svg/5LL.svg) | 5LL | Name: | 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione | Formula: | C11 H8 N2 O4 | SMILES: | O=C1NC(=O)C(=CC=Cc2occc2)C(=O)N1 | InChi: | InChI=1S/C11H8N2O4/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+ | Definition date: | 2015-10-20 | Last modified: | 2016-10-14 | Release date: | 2016-10-19 | Identifier: | 5-[(~{E})-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione |
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![5LM 5LM](https://data.pdbj.org/pdbjplus/data/cc/svg/5LM.svg) | 5LM | Name: | 5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione | Formula: | C11 H8 N2 O3 S | SMILES: | O=C1NC(=O)C(=CC=Cc2sccc2)C(=O)N1 | InChi: | InChI=1S/C11H8N2O3S/c14-9-8(10(15)13-11(16)12-9)5-1-3-7-4-2-6-17-7/h1-6H,(H2,12,13,14,15,16)/b3-1+ | Definition date: | 2015-10-20 | Last modified: | 2016-10-14 | Release date: | 2016-10-19 | Identifier: | 5-[(~{E})-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione |
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![5JV 5JV](https://data.pdbj.org/pdbjplus/data/cc/svg/5JV.svg) | 5JV | Name: | 4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-4-enoic acid | Formula: | C13 H17 N2 O7 P | SMILES: | O=C(O)CC/C(N=Cc1c(cnc(c1O)C)COP(O)(O)=O)=C | InChi: | InChI=1S/C13H17N2O7P/c1-8(3-4-12(16)17)14-6-11-10(7-22-23(19,20)21)5-15-9(2)13(11)18/h5-6,18H,1,3-4,7H2,2H3,(H,16,17)(H2,19,20,21)/b14-6+ | Definition date: | 2015-10-05 | Last modified: | 2016-10-14 | Release date: | 2016-10-19 | Identifier: | 4-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-4-enoic acid |
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![69G 69G](https://data.pdbj.org/pdbjplus/data/cc/svg/69G.svg) | 69G | Name: | 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide | Formula: | C20 H21 N3 O2 | SMILES: | C(C=CC)N1C(c3c(C(=C1)c2cccc(c2)C(=O)N(C)C)ccn3)=O | InChi: | InChI=1S/C20H21N3O2/c1-4-5-11-23-13-17(16-9-10-21-18(16)20(23)25)14-7-6-8-15(12-14)19(24)22(2)3/h4-10,12-13,21H,11H2,1-3H3/b5-4+ | Definition date: | 2016-02-19 | Last modified: | 2016-10-07 | Release date: | 2016-10-12 | Identifier: | 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide |
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![5J5 5J5](https://data.pdbj.org/pdbjplus/data/cc/svg/5J5.svg) | 5J5 | Name: | 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid | Formula: | C14 H12 Cl N3 O7 S2 | SMILES: | OS(c2cc(N=Nc1ccc(S(=O)(=O)O)cc1)ccc2NC(=O)CCl)(=O)=O | InChi: | InChI=1S/C14H12ClN3O7S2/c15-8-14(19)16-12-6-3-10(7-13(12)27(23,24)25)18-17-9-1-4-11(5-2-9)26(20,21)22/h1-7H,8H2,(H,16,19)(H,20,21,22)(H,23,24,25)/b18-17+ | Definition date: | 2015-09-29 | Last modified: | 2016-10-07 | Release date: | 2016-10-12 | Identifier: | 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid |
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![5KL 5KL](https://data.pdbj.org/pdbjplus/data/cc/svg/5KL.svg) | 5KL | Name: | (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one | Formula: | C11 H13 N O2 | SMILES: | CN(C=CC(=O)c1c(cccc1)O)C | InChi: | InChI=1S/C11H13NO2/c1-12(2)8-7-11(14)9-5-3-4-6-10(9)13/h3-8,13H,1-2H3/b8-7+ | Definition date: | 2015-10-12 | Last modified: | 2016-10-07 | Release date: | 2016-10-12 | Identifier: | (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one |
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![5D6 5D6](https://data.pdbj.org/pdbjplus/data/cc/svg/5D6.svg) | 5D6 | Name: | orthoformimycin | Formula: | C25 H37 N3 O10 | SMILES: | O1C(OC3C1C(C(C(NC(=O)C(=[C@H]c2ccc(cc2)N(C)C)C)C3N(C)C)O)O)OC(C(O)CO)C(=O)O | InChi: | InChI=1S/C25H37N3O10/c1-12(10-13-6-8-14(9-7-13)27(2)3)23(33)26-16-17(28(4)5)21-22(19(32)18(16)31)38-25(37-21)36-20(24(34)35)15(30)11-29/h6-10,15-22,25,29-32H,11H2,1-5H3,(H,26,33)(H,34,35)/b12-10+/t15-,16-,17+,18-,19+,20-,21-,22+,25+/m0/s1 | Definition date: | 2015-09-08 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | (2S,3S)-2-{[(2R,3aS,4R,5S,6S,7R,7aR)-4-(dimethylamino)-5-({(2E)-3-[4-(dimethylamino)phenyl]-2-methylprop-2-enoyl}amino)-6,7-dihydroxyhexahydro-1,3-benzodioxol-2-yl]oxy}-3,4-dihydroxybutanoic acid |
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![72W 72W](https://data.pdbj.org/pdbjplus/data/cc/svg/72W.svg) | 72W | Name: | ~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide | Formula: | C27 H26 F N5 O6 | SMILES: | CCc1ncnc2n(cnc12)[CH]3O[CH](C=CCNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)[CH](O)[CH]3O | InChi: | InChI=1S/C27H26FN5O6/c1-2-18-21-25(31-12-30-18)33(13-32-21)27-24(37)23(36)20(39-27)4-3-9-29-26(38)17-10-15(11-19(34)22(17)35)14-5-7-16(28)8-6-14/h3-8,10-13,20,23-24,27,34-37H,2,9H2,1H3,(H,29,38)/b4-3+/t20-,23-,24-,27-/m1/s1 | Definition date: | 2016-08-18 | Last modified: | 2016-09-30 | Release date: | 2016-10-05 | Identifier: | ~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-ethylpurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-(4-fluorophenyl)-2,3-bis(oxidanyl)benzamide |
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![7AB 7AB](https://data.pdbj.org/pdbjplus/data/cc/svg/7AB.svg) | 7AB | Name: | (2E)-{(4E)-4-[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde | Formula: | C21 H28 O | SMILES: | C1CC(C=CC/1=C(C=CC=2C(C)(CCCC=2C)C)C)=[C@H]C=O | InChi: | InChI=1S/C21H28O/c1-16(19-10-8-18(9-11-19)13-15-22)7-12-20-17(2)6-5-14-21(20,3)4/h7-8,10,12-13,15H,5-6,9,11,14H2,1-4H3/b12-7+,18-13-,19-16- | Definition date: | 2007-02-16 | Last modified: | 2016-09-27 | Identifier: | (2E)-{(4E)-4-[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde |
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![TDN TDN](https://data.pdbj.org/pdbjplus/data/cc/svg/TDN.svg) | TDN | Name: | 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate | Formula: | C15 H24 N4 O8 P2 S | SMILES: | CCC(O)=C1SC(=C(C)N1Cc2cnc(C)nc2N)CCO[P](O)(=O)O[P](O)(O)=O | InChi: | InChI=1S/C15H24N4O8P2S/c1-4-12(20)15-19(8-11-7-17-10(3)18-14(11)16)9(2)13(30-15)5-6-26-29(24,25)27-28(21,22)23/h7,20H,4-6,8H2,1-3H3,(H,24,25)(H2,16,17,18)(H2,21,22,23)/b15-12+ | Definition date: | 2016-04-07 | Last modified: | 2016-09-23 | Release date: | 2016-09-28 | Identifier: | 2-[(2~{E})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate |
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![KZH KZH](https://data.pdbj.org/pdbjplus/data/cc/svg/KZH.svg) | KZH | Name: | (13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid) | Formula: | C18 H28 O3 | SMILES: | CCC=CCC(=O)C=CC=CCCCCCCCC(O)=O | InChi: | InChI=1S/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h3,7,9,11-12,15H,2,4-6,8,10,13-14,16H2,1H3,(H,20,21)/b9-7?,11-3?,15-12+ | Definition date: | 2015-06-01 | Last modified: | 2016-09-23 | Release date: | 2016-09-28 | Identifier: | 13-oxidanylideneoctadeca-9,11,15-trienoic acid |
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![77Y 77Y](https://data.pdbj.org/pdbjplus/data/cc/svg/77Y.svg) | 77Y | Name: | 5-(3-(2-(1H-indol-3-yl)acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine | Formula: | C22 H25 N4 O9 P | SMILES: | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C(C=CCNC(=O)Cc3c[nH]c4ccccc34)C(=O)NC2=O | InChi: | InChI=1S/C22H25N4O9P/c27-17-9-20(35-18(17)12-34-36(31,32)33)26-11-13(21(29)25-22(26)30)4-3-7-23-19(28)8-14-10-24-16-6-2-1-5-15(14)16/h1-6,10-11,17-18,20,24,27H,7-9,12H2,(H,23,28)(H,25,29,30)(H2,31,32,33)/b4-3+/t17-,18+,20+/m0/s1 | Definition date: | 2016-09-12 | Last modified: | 2016-09-23 | Release date: | 2016-09-28 | Identifier: | [(2~{R},3~{S},5~{R})-5-[5-[(~{E})-3-[2-(1~{H}-indol-3-yl)ethanoylamino]prop-1-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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![8DT 8DT](https://data.pdbj.org/pdbjplus/data/cc/svg/8DT.svg) | 8DT | Name: | 5-(3-(acetamide-N-yl)-1-propen-1-yl)-2'-deoxyuridine | Formula: | C14 H20 N3 O9 P | SMILES: | CC(=O)NCC=CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O | InChi: | InChI=1S/C14H20N3O9P/c1-8(18)15-4-2-3-9-6-17(14(21)16-13(9)20)12-5-10(19)11(26-12)7-25-27(22,23)24/h2-3,6,10-12,19H,4-5,7H2,1H3,(H,15,18)(H,16,20,21)(H2,22,23,24)/b3-2+/t10-,11+,12+/m0/s1 | Definition date: | 2016-09-12 | Last modified: | 2016-09-16 | Release date: | 2016-09-21 | Identifier: | [(2~{R},3~{S},5~{R})-5-[5-[(~{E})-3-acetamidoprop-1-enyl]-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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![6PJ 6PJ](https://data.pdbj.org/pdbjplus/data/cc/svg/6PJ.svg) | 6PJ | Name: | CY5.5-PEG2 | Formula: | C50 H65 N3 O16 S4 | SMILES: | CCCOCCOCCOCCCNC(=O)CCCCN1c2ccc3c(cc(cc3[S](O)(=O)=O)[S](O)(=O)=O)c2C(C)(C)C1=CC=CCC=C4N(CC)c5ccc6c(cc(cc6[S](O)(=O)=O)[S](O)(=O)=O)c5C4(C)C | InChi: | InChI=1S/C50H65N3O16S4/c1-7-24-67-26-28-69-29-27-68-25-14-22-51-46(54)17-12-13-23-53-41-21-19-37-39(31-35(71(58,59)60)33-43(37)73(64,65)66)48(41)50(5,6)45(53)16-11-9-10-15-44-49(3,4)47-38-30-34(70(55,56)57)32-42(72(61,62)63)36(38)18-20-40(47)52(44)8-2/h9,11,15-16,18-21,30-33H,7-8,10,12-14,17,22-29H2,1-6H3,(H,51,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)/b11-9-,44-15+,45-16- | Definition date: | 2016-06-03 | Last modified: | 2016-09-09 | Release date: | 2016-09-14 | Identifier: | (2~{E})-2-[(~{Z},5~{Z})-5-[1,1-dimethyl-3-[5-oxidanylidene-5-[3-[2-(2-propoxyethoxy)ethoxy]propylamino]pentyl]-6,8-disulfo-benzo[e]indol-2-ylidene]pent-3-enylidene]-3-ethyl-1,1-dimethyl-benzo[e]indole-6,8-disulfonic acid |
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![5J7 5J7](https://data.pdbj.org/pdbjplus/data/cc/svg/5J7.svg) | 5J7 | Name: | 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside | Formula: | C36 H36 O20 | SMILES: | c1c(c(O)c(O)cc1C=3Oc2cc(O)cc(O)c2C(=O)C=3OC4OC(C)C(C(C4OC5OC(C(C(C5O)O)O)COC(C=Cc6cc(O)c(O)cc6)=O)O)O)O | InChi: | InChI=1S/C36H36O20/c1-12-25(44)30(49)34(56-35-31(50)29(48)27(46)22(54-35)11-51-23(43)5-3-13-2-4-16(38)17(39)6-13)36(52-12)55-33-28(47)24-18(40)9-15(37)10-21(24)53-32(33)14-7-19(41)26(45)20(42)8-14/h2-10,12,22,25,27,29-31,34-42,44-46,48-50H,11H2,1H3/b5-3+/t12-,22+,25-,27+,29-,30+,31+,34+,35-,36-/m0/s1 | Definition date: | 2015-09-29 | Last modified: | 2016-09-02 | Release date: | 2016-09-07 | Identifier: | 5,7-dihydroxy-4-oxo-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yl 6-deoxy-2-O-{6-O-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-beta-D-glucopyranosyl}-alpha-L-mannopyranoside |
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![5BS 5BS](https://data.pdbj.org/pdbjplus/data/cc/svg/5BS.svg) | 5BS | Name: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide | Formula: | C17 H16 N6 O3 S2 | SMILES: | c14c(cnc(n1)Nc2ccc(S(=O)(=O)N)cc2)N(C)C(=O)c3sccc3N4C | InChi: | InChI=1S/C17H16N6O3S2/c1-22-12-7-8-27-14(12)16(24)23(2)13-9-19-17(21-15(13)22)20-10-3-5-11(6-4-10)28(18,25)26/h3-9H,1-2H3,(H2,18,25,26)(H,19,20,21) | Definition date: | 2015-09-03 | Last modified: | 2016-08-24 | Release date: | 2016-08-31 | Identifier: | 4-[(5,10-dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide |
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![72M 72M](https://data.pdbj.org/pdbjplus/data/cc/svg/72M.svg) | 72M | Name: | ~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide | Formula: | C27 H28 N6 O6 | SMILES: | Cc1ccc(Cc2cc(O)c(O)c(c2)C(=O)NCC=C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)cc1 | InChi: | InChI=1S/C27H28N6O6/c1-14-4-6-15(7-5-14)9-16-10-17(21(35)18(34)11-16)26(38)29-8-2-3-19-22(36)23(37)27(39-19)33-13-32-20-24(28)30-12-31-25(20)33/h2-7,10-13,19,22-23,27,34-37H,8-9H2,1H3,(H,29,38)(H2,28,30,31)/b3-2+/t19-,22-,23-,27-/m1/s1 | Definition date: | 2016-08-17 | Last modified: | 2016-08-24 | Release date: | 2016-08-31 | Identifier: | ~{N}-[(~{E})-3-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]prop-2-enyl]-5-[(4-methylphenyl)methyl]-2,3-bis(oxidanyl)benzamide |
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![GK0 GK0](https://data.pdbj.org/pdbjplus/data/cc/svg/GK0.svg) | GK0 | Name: | 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide | Formula: | C14 H12 N2 O7 | SMILES: | Oc1cc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc(O)c1O | InChi: | InChI=1S/C14H12N2O7/c17-8-1-6(2-9(18)12(8)21)5-15-16-14(23)7-3-10(19)13(22)11(20)4-7/h1-5,17-22H,(H,16,23)/b15-5+ | Definition date: | 2015-11-17 | Last modified: | 2016-08-24 | Release date: | 2016-08-31 | Identifier: | 3,4,5-tris(oxidanyl)-~{N}-[(~{E})-[3,4,5-tris(oxidanyl)phenyl]methylideneamino]benzamide |
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![6LM 6LM](https://data.pdbj.org/pdbjplus/data/cc/svg/6LM.svg) | 6LM | Name: | (3S,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid | Formula: | C15 H22 O5 | SMILES: | C12(COC(C)(C1([C@H]=CC(C)CC(O)=O)O)CC(C2)=O)C | InChi: | InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-5,10,19H,6-9H2,1-3H3,(H,17,18)/b5-4+/t10-,13-,14-,15+/m1/s1 | Definition date: | 2016-05-02 | Last modified: | 2016-08-12 | Release date: | 2016-08-17 | Identifier: | (3S,4E)-5-[(1R,5R,8S)-8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]octan-8-yl]-3-methylpent-4-enoic acid |
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