![V97 V97](https://data.pdbj.org/pdbjplus/data/cc/svg/V97.svg) | V97 | Name: | N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid | Formula: | C20 H22 N4 O6 S2 | SMILES: | c23sc(CCCCc1ccc(C(=O)NC(CCC(O)=O)C(O)=O)s1)cc2C(NC(=N3)N)=O | InChi: | InChI=1S/C20H22N4O6S2/c21-20-23-16(27)12-9-11(32-18(12)24-20)4-2-1-3-10-5-7-14(31-10)17(28)22-13(19(29)30)6-8-15(25)26/h5,7,9,13H,1-4,6,8H2,(H,22,28)(H,25,26)(H,29,30)(H3,21,23,24,27)/t13-/m0/s1 | Definition date: | 2020-07-20 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]thiophene-2-carbonyl}-L-glutamic acid |
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![V9A V9A](https://data.pdbj.org/pdbjplus/data/cc/svg/V9A.svg) | V9A | Name: | N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid | Formula: | C20 H22 N4 O7 S | SMILES: | OC(CCC(C(O)=O)NC(=O)c3ccc(CCCCc1cc2c(s1)N=C(N)NC2=O)o3)=O | InChi: | InChI=1S/C20H22N4O7S/c21-20-23-16(27)12-9-11(32-18(12)24-20)4-2-1-3-10-5-7-14(31-10)17(28)22-13(19(29)30)6-8-15(25)26/h5,7,9,13H,1-4,6,8H2,(H,22,28)(H,25,26)(H,29,30)(H3,21,23,24,27)/t13-/m0/s1 | Definition date: | 2020-07-20 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | N-{5-[4-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)butyl]furan-2-carbonyl}-L-glutamic acid |
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![V9V V9V](https://data.pdbj.org/pdbjplus/data/cc/svg/V9V.svg) | V9V | Name: | N-(5-{3-[(1S,7R,8R,9S)-4-amino-2-oxo-7lambda~4~-thia-3,5-diazatetracyclo[4.3.0.0~1,7~.0~7,9~]nona-3,5-dien-8-yl]propyl}thiophene-2-carbonyl)-L-glutamic acid | Formula: | C19 H20 N4 O6 S2 | SMILES: | c21C(NC(=Nc1sc(c2)CCCc3ccc(C(NC(CCC(=O)O)C(=O)O)=O)s3)N)=O | InChi: | InChI=1S/C19H20N4O6S2/c20-19-22-15(26)11-8-10(31-17(11)23-19)3-1-2-9-4-6-13(30-9)16(27)21-12(18(28)29)5-7-14(24)25/h4,6,8,12H,1-3,5,7H2,(H,21,27)(H,24,25)(H,28,29)(H3,20,22,23,26)/t12-/m0/s1 | Definition date: | 2020-07-21 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | N-{5-[3-(2-amino-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-6-yl)propyl]thiophene-2-carbonyl}-L-glutamic acid |
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![TOV TOV](https://data.pdbj.org/pdbjplus/data/cc/svg/TOV.svg) | TOV | Name: | N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide | Formula: | C24 H20 F N5 O3 S | SMILES: | O=C(c1cc(ccc1F)O)Nc4cccc(c3c(c2cc(NC(C)=O)ncc2)nc(n3)SC)c4 | InChi: | InChI=1S/C24H20FN5O3S/c1-13(31)27-20-11-15(8-9-26-20)22-21(29-24(30-22)34-2)14-4-3-5-16(10-14)28-23(33)18-12-17(32)6-7-19(18)25/h3-12,32H,1-2H3,(H,28,33)(H,29,30)(H,26,27,31) | Definition date: | 2020-03-25 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-fluoro-5-hydroxybenzamide |
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![TQA TQA](https://data.pdbj.org/pdbjplus/data/cc/svg/TQA.svg) | TQA | Name: | N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide | Formula: | C33 H28 N6 O3 S | SMILES: | c6cc5C(=O)N(Cc4ccccc4C(Nc1cc(ccc1)c2nc(SC)nc2c3ccnc(c3)NC(C)=O)=O)Cc5cc6 | InChi: | InChI=1S/C33H28N6O3S/c1-20(40)35-28-17-22(14-15-34-28)30-29(37-33(38-30)43-2)21-10-7-11-25(16-21)36-31(41)26-12-5-3-8-23(26)18-39-19-24-9-4-6-13-27(24)32(39)42/h3-17H,18-19H2,1-2H3,(H,36,41)(H,37,38)(H,34,35,40) | Definition date: | 2020-03-26 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzamide |
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![TQM TQM](https://data.pdbj.org/pdbjplus/data/cc/svg/TQM.svg) | TQM | Name: | {5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid | Formula: | C22 H13 F O3 S | SMILES: | c31cc(ccc1oc(C#Cc2cccs2)c3CC(=O)O)c4cccc(c4)F | InChi: | InChI=1S/C22H13FO3S/c23-16-4-1-3-14(11-16)15-6-8-20-18(12-15)19(13-22(24)25)21(26-20)9-7-17-5-2-10-27-17/h1-6,8,10-12H,13H2,(H,24,25) | Definition date: | 2020-03-30 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | {5-(3-fluorophenyl)-2-[(thiophen-2-yl)ethynyl]-1-benzofuran-3-yl}acetic acid |
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![YOY YOY](https://data.pdbj.org/pdbjplus/data/cc/svg/YOY.svg) | YOY | Name: | [[(2S,3aS,5S,6R,6aS)-2-dodecyl-6-oxidanyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Formula: | C28 H47 N5 O14 P2 | SMILES: | CCCCCCCCCCCC[CH]1O[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O1 | InChi: | InChI=1S/C28H47N5O14P2/c1-2-3-4-5-6-7-8-9-10-11-12-19-45-24-22(35)18(44-28(24)46-19)14-42-49(39,40)47-48(37,38)41-13-17-21(34)23(36)27(43-17)33-16-32-20-25(29)30-15-31-26(20)33/h15-19,21-24,27-28,34-36H,2-14H2,1H3,(H,37,38)(H,39,40)(H2,29,30,31)/t17-,18+,19+,21-,22-,23-,24+,27-,28+/m1/s1 | Definition date: | 2019-11-08 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [[(2~{S},3~{a}~{S},5~{S},6~{R},6~{a}~{S})-2-dodecyl-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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![O9B O9B](https://data.pdbj.org/pdbjplus/data/cc/svg/O9B.svg) | O9B | Name: | (2~{R})-1-methylpiperidine-2-carboxylic acid | Formula: | C7 H13 N O2 | SMILES: | CN1CCCC[CH]1C(O)=O | InChi: | InChI=1S/C7H13NO2/c1-8-5-3-2-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m1/s1 | Definition date: | 2020-02-24 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | (2~{R})-1-methylpiperidine-2-carboxylic acid |
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![O9H O9H](https://data.pdbj.org/pdbjplus/data/cc/svg/O9H.svg) | O9H | Name: | [(1~{R},3~{R})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium | Formula: | C22 H33 N2 O4 S | SMILES: | C[NH2+][CH](C[CH](OC(C)=O)[CH]1NC(=C(CCOCc2ccccc2)S1)C=O)C(C)C | InChi: | InChI=1S/C22H32N2O4S/c1-15(2)18(23-4)12-20(28-16(3)26)22-24-19(13-25)21(29-22)10-11-27-14-17-8-6-5-7-9-17/h5-9,13,15,18,20,22-24H,10-12,14H2,1-4H3/p+1/t18-,20-,22+/m1/s1 | Definition date: | 2020-02-24 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [(1~{R},3~{R})-1-acetyloxy-1-[4-methanoyl-5-(2-phenylmethoxyethyl)-2,3-dihydro-1,3-thiazol-2-yl]-4-methyl-pentan-3-yl]-methyl-azanium |
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![O9K O9K](https://data.pdbj.org/pdbjplus/data/cc/svg/O9K.svg) | O9K | Name: | [(1~{R},3~{R})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate | Formula: | C13 H20 N2 O3 S | SMILES: | CN[CH](C[CH](OC(C)=O)c1scc(C=O)n1)C(C)C | InChi: | InChI=1S/C13H20N2O3S/c1-8(2)11(14-4)5-12(18-9(3)17)13-15-10(6-16)7-19-13/h6-8,11-12,14H,5H2,1-4H3/t11-,12-/m1/s1 | Definition date: | 2020-02-24 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [(1~{R},3~{R})-1-(4-methanoyl-1,3-thiazol-2-yl)-4-methyl-3-(methylamino)pentyl] ethanoate |
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![O9N O9N](https://data.pdbj.org/pdbjplus/data/cc/svg/O9N.svg) | O9N | Name: | methyl (2~{S},4~{S})-2,4-bis(azanyl)-5-phenyl-pentanoate | Formula: | C12 H18 N2 O2 | SMILES: | COC(=O)[CH](N)C[CH](N)Cc1ccccc1 | InChi: | InChI=1S/C12H18N2O2/c1-16-12(15)11(14)8-10(13)7-9-5-3-2-4-6-9/h2-6,10-11H,7-8,13-14H2,1H3/t10-,11-/m0/s1 | Definition date: | 2020-02-24 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | methyl (2~{S},4~{S})-2,4-bis(azanyl)-5-phenyl-pentanoate |
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![OEH OEH](https://data.pdbj.org/pdbjplus/data/cc/svg/OEH.svg) | OEH | Name: | [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | Formula: | C35 H43 Cl N3 O6 | SMILES: | CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C)c1 | InChi: | InChI=1S/C35H42ClN3O6/c1-38(2)25-10-13-28-31(22-25)45-32-23-26(39(3)4)11-14-29(32)33(28)30-21-24(9-12-27(30)35(41)42)34(40)37-16-18-44-20-19-43-17-8-6-5-7-15-36/h9-14,21-23H,5-8,15-20H2,1-4H3,(H-,37,40,41,42)/p+1 | Definition date: | 2020-02-28 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [9-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium |
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![OEK OEK](https://data.pdbj.org/pdbjplus/data/cc/svg/OEK.svg) | OEK | Name: | 4-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]-2-[3-(dimethylamino)-6-(dimethyl-$l^{4}-azanylidene)-10,10-dimethyl-anthracen-9-yl]benzoic acid | Formula: | C38 H49 Cl N3 O5 | SMILES: | CN(C)c1ccc2c(c1)C(C)(C)C3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCCOCCOCCCCCCCl)=[N+](C)C | InChi: | InChI=1S/C38H48ClN3O5/c1-38(2)33-24-27(41(3)4)12-15-30(33)35(31-16-13-28(42(5)6)25-34(31)38)32-23-26(11-14-29(32)37(44)45)36(43)40-18-20-47-22-21-46-19-10-8-7-9-17-39/h11-16,23-25H,7-10,17-22H2,1-6H3,(H-,40,43,44,45)/p+1 | Definition date: | 2020-02-28 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [10-[2-carboxy-5-[2-[2-(6-chloranylhexoxy)ethoxy]ethylcarbamoyl]phenyl]-7-(dimethylamino)-9,9-dimethyl-anthracen-2-ylidene]-dimethyl-azanium |
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![OEN OEN](https://data.pdbj.org/pdbjplus/data/cc/svg/OEN.svg) | OEN | Name: | Biapenem Imine hydrolysis product | Formula: | C15 H21 N4 O5 S | SMILES: | C[CH](O)[CH](C(O)=O)C1=N[CH]([CH](S[CH]2Cn3cnc[n+]3C2)[CH]1C)C(O)=O | InChi: | InChI=1S/C15H20N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-10,12-13,20H,3-4H2,1-2H3,(H-,21,22,23,24)/p+1/t7-,8-,10-,12+,13+/m1/s1 | Definition date: | 2020-03-02 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | (4~{R})-5-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-[[(6~{S})-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-4-methyl-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid |
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![OEQ OEQ](https://data.pdbj.org/pdbjplus/data/cc/svg/OEQ.svg) | OEQ | Name: | Biapenem Enamine hydrolysis product | Formula: | C15 H21 N4 O5 S | SMILES: | C[CH](O)[CH]([CH]1NC(=C(S[CH]2Cn3cnc[n+]3C2)[CH]1C)C(O)=O)C(O)=O | InChi: | InChI=1S/C15H20N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-11,17,20H,3-4H2,1-2H3,(H-,21,22,23,24)/p+1/t7-,8-,10-,11-/m1/s1 | Synonyms: | (2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6~{R})-6,7-dihydro-5~{H}-pyrazolo[1,2
-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid | Definition date: | 2020-03-02 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | (2~{S},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[[(6~{R})-6,7-dihydro-5~{H}-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-yl]sulfanyl]-3-methyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid |
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![OEZ OEZ](https://data.pdbj.org/pdbjplus/data/cc/svg/OEZ.svg) | OEZ | Name: | ~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide | Formula: | C21 H21 N3 O3 | SMILES: | COc1ccc(cc1c2cc(n3cccnc23)C(C)=O)C(=O)NC4CCC4 | InChi: | InChI=1S/C21H21N3O3/c1-13(25)18-12-17(20-22-9-4-10-24(18)20)16-11-14(7-8-19(16)27-2)21(26)23-15-5-3-6-15/h4,7-12,15H,3,5-6H2,1-2H3,(H,23,26) | Definition date: | 2020-03-02 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | ~{N}-cyclobutyl-3-(6-ethanoylpyrrolo[1,2-a]pyrimidin-8-yl)-4-methoxy-benzamide |
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![OF5 OF5](https://data.pdbj.org/pdbjplus/data/cc/svg/OF5.svg) | OF5 | Name: | 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone | Formula: | C17 H16 N2 O3 | SMILES: | COc1ccc(OC)c(c1)c2cc(n3cccnc23)C(C)=O | InChi: | InChI=1S/C17H16N2O3/c1-11(20)15-10-14(17-18-7-4-8-19(15)17)13-9-12(21-2)5-6-16(13)22-3/h4-10H,1-3H3 | Definition date: | 2020-03-02 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone |
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![OGQ OGQ](https://data.pdbj.org/pdbjplus/data/cc/svg/OGQ.svg) | OGQ | Name: | [9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium | Formula: | C33 H32 N3 O4 | SMILES: | CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4cc(ccc4C(O)=O)C(=O)NCc5ccc(C)cc5)=[N+](C)C)c1 | InChi: | InChI=1S/C33H31N3O4/c1-20-6-8-21(9-7-20)19-34-32(37)22-10-13-25(33(38)39)28(16-22)31-26-14-11-23(35(2)3)17-29(26)40-30-18-24(36(4)5)12-15-27(30)31/h6-18H,19H2,1-5H3,(H-,34,37,38,39)/p+1 | Definition date: | 2020-03-06 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | [9-[2-carboxy-5-[(4-methylphenyl)methylcarbamoyl]phenyl]-6-(dimethylamino)xanthen-3-ylidene]-dimethyl-azanium |
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![OH5 OH5](https://data.pdbj.org/pdbjplus/data/cc/svg/OH5.svg) | OH5 | Name: | (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid | Formula: | C12 H17 N O2 | SMILES: | C[CH](C[CH](N)Cc1ccccc1)C(O)=O | InChi: | InChI=1S/C12H17NO2/c1-9(12(14)15)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,11H,7-8,13H2,1H3,(H,14,15)/t9-,11+/m0/s1 | Definition date: | 2020-03-10 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | (2~{S},4~{R})-4-azanyl-2-methyl-5-phenyl-pentanoic acid |
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![OOE OOE](https://data.pdbj.org/pdbjplus/data/cc/svg/OOE.svg) | OOE | Name: | 2',2'-difluoro-3',3'-cGAMP | Formula: | C20 H22 F2 N10 O11 P2 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67 | InChi: | InChI=1S/C20H22F2N10O11P2/c21-8-12-6(40-18(8)31-4-27-10-14(23)25-3-26-15(10)31)1-38-45(36,37)43-13-7(2-39-44(34,35)42-12)41-19(9(13)22)32-5-28-11-16(32)29-20(24)30-17(11)33/h3-9,12-13,18-19H,1-2H2,(H,34,35)(H,36,37)(H2,23,25,26)(H3,24,29,30,33)/t6-,7-,8-,9-,12-,13-,18-,19-/m1/s1 | Synonyms: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-
3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-2-azan
yl-1~{H}-purin-6-one | Definition date: | 2020-03-24 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-2-azanyl-1~{H}-purin-6-one |
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![Q3M Q3M](https://data.pdbj.org/pdbjplus/data/cc/svg/Q3M.svg) | Q3M | Name: | Methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-D-galactopyranose | Formula: | C10 H19 N O4 S | SMILES: | CSC1CC(CO)C(O)C(O)C1NC(C)=O | InChi: | InChI=1S/C10H19NO4S/c1-5(13)11-8-7(16-2)3-6(4-12)9(14)10(8)15/h6-10,12,14-15H,3-4H2,1-2H3,(H,11,13)/t6-,7+,8+,9+,10-/m1/s1 | Synonyms: | N-[(1R,2R,3S,4R,6S)-2,3-dihydroxy-4-(hydroxymethyl)-6-(methylsulfanyl)cyclohexyl]acetamide | Definition date: | 2019-09-16 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | N-[(1R,2R,3S,4R,6S)-2,3-dihydroxy-4-(hydroxymethyl)-6-(methylsulfanyl)cyclohexyl]acetamide |
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![G9R G9R](https://data.pdbj.org/pdbjplus/data/cc/svg/G9R.svg) | G9R | Name: | CHLOROPHYLL D ISOMER | Formula: | C54 H70 Mg N4 O6 | SMILES: | CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C | InChi: | InChI=1S/C54H71N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3 | Definition date: | 2020-08-07 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 |
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![GGF GGF](https://data.pdbj.org/pdbjplus/data/cc/svg/GGF.svg) | GGF | Name: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one | Formula: | C20 H22 F2 N10 O12 P2 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)NC(=Nc67)N | InChi: | InChI=1S/C20H22F2N10O12P2/c21-7-11-5(41-17(7)31-3-25-9-13(31)27-19(23)29-15(9)33)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(8(12)22)32-4-26-10-14(32)28-20(24)30-16(10)34/h3-8,11-12,17-18H,1-2H2,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)/t5-,6-,7-,8-,11-,12-,17-,18-/m1/s1 | Definition date: | 2020-03-20 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one |
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![GO9 GO9](https://data.pdbj.org/pdbjplus/data/cc/svg/GO9.svg) | GO9 | Name: | 3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol | Formula: | C13 H28 O8 | SMILES: | OCCOCCOCC(CO)(COCCO)COCCO | InChi: | InChI=1S/C13H28O8/c14-1-4-18-7-8-21-12-13(9-17,10-19-5-2-15)11-20-6-3-16/h14-17H,1-12H2 | Definition date: | 2020-09-11 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 3-(2-hydroxyethyloxy)-2-[2-(2-hydroxyethyloxy)ethoxymethyl]-2-(2-hydroxyethyloxymethyl)propan-1-ol |
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![GTU GTU](https://data.pdbj.org/pdbjplus/data/cc/svg/GTU.svg) | GTU | Name: | N-[3-[(4R)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide | Formula: | C20 H16 F N5 O2 | SMILES: | CC#C[C]1(CCOC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F | InChi: | InChI=1S/C20H16FN5O2/c1-2-7-20(8-9-28-19(23)26-20)15-10-14(4-5-16(15)21)25-18(27)17-6-3-13(11-22)12-24-17/h3-6,10,12H,8-9H2,1H3,(H2,23,26)(H,25,27)/t20-/m0/s1 | Definition date: | 2020-09-24 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | ~{N}-[3-[(4~{R})-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide |
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