![G3X G3X](https://data.pdbj.org/pdbjplus/data/cc/svg/G3X.svg) | G3X | Name: | (4aS,6R,8aS)-3-methoxy-11-(3-piperidin-1-ylpropyl)-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol | Formula: | C24 H34 N2 O3 | SMILES: | OC2C=CC41c3c(ccc(OC)c3OC1C2)CN(CC4)CCCN5CCCCC5 | InChi: | InChI=1S/C24H34N2O3/c1-28-20-7-6-18-17-26(14-5-13-25-11-3-2-4-12-25)15-10-24-9-8-19(27)16-21(24)29-23(20)22(18)24/h6-9,19,21,27H,2-5,10-17H2,1H3/t19-,21-,24-/m0/s1 | Synonyms: | (4aS,6R,8aS)-4a,5,9,10,11,12-Hexahydro-3-methoxy-11-[3-(1-piperidinyl)propyl]-6H-benzofuro[3a,3,2-ef][2]benzazepin-6-ol | Definition date: | 2009-07-10 | Last modified: | 2021-03-13 | Identifier: | (4aS,6R,8aS)-3-methoxy-11-[3-(piperidin-1-yl)propyl]-5,6,9,10,11,12-hexahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-6-ol (non-preferred name) |
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![W7E W7E](https://data.pdbj.org/pdbjplus/data/cc/svg/W7E.svg) | W7E | Name: | 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid | Formula: | C24 H26 N4 O7 S | SMILES: | O=C(O)C(C(=O)O)Cc3ccc(OCCNC(=O)NCCC(=O)Nc1ccc2nc(sc2c1)C)cc3 | InChi: | InChI=1S/C24H26N4O7S/c1-14-27-19-7-4-16(13-20(19)36-14)28-21(29)8-9-25-24(34)26-10-11-35-17-5-2-15(3-6-17)12-18(22(30)31)23(32)33/h2-7,13,18H,8-12H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H2,25,26,34) | Synonyms: | 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxo-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid | Definition date: | 2012-03-01 | Last modified: | 2021-03-13 | Identifier: | (4-{2-[({3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxopropyl}carbamoyl)amino]ethoxy}benzyl)propanedioic acid |
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![G87 G87](https://data.pdbj.org/pdbjplus/data/cc/svg/G87.svg) | G87 | Name: | Metosulam | Formula: | C14 H13 Cl2 N5 O4 S | SMILES: | c2(nc1n(c(cc(OC)n1)OC)n2)S(Nc3c(c(C)ccc3Cl)Cl)(=O)=O | InChi: | InChI=1S/C14H13Cl2N5O4S/c1-7-4-5-8(15)12(11(7)16)20-26(22,23)14-18-13-17-9(24-2)6-10(25-3)21(13)19-14/h4-6,20H,1-3H3 | Synonyms: | N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide | Definition date: | 2018-05-14 | Last modified: | 2021-03-13 | Release date: | 2018-09-26 | Identifier: | N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide |
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![G8M G8M](https://data.pdbj.org/pdbjplus/data/cc/svg/G8M.svg) | G8M | Name: | (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid | Formula: | C7 H11 N O4 | SMILES: | O=C(O)C(N)C1CCC1C(=O)O | InChi: | InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1 | Synonyms: | (2S,1'R,2'S)-2-(2'-carboxycyclobutyl)glycine | Definition date: | 2012-07-30 | Last modified: | 2021-03-13 | Identifier: | (1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic acid |
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![GA9 GA9](https://data.pdbj.org/pdbjplus/data/cc/svg/GA9.svg) | GA9 | Name: | 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE | Formula: | C24 H13 Br2 Cl O4 | SMILES: | Brc1c(O)ccc(c1)C4(OC(=O)c2c3c(c(Cl)cc2)cccc34)c5ccc(O)c(Br)c5 | InChi: | InChI=1S/C24H13Br2ClO4/c25-17-10-12(4-8-20(17)28)24(13-5-9-21(29)18(26)11-13)16-3-1-2-14-19(27)7-6-15(22(14)16)23(30)31-24/h1-11,28-29H | Synonyms: | 4-CHLORO-3',3"-DIBROMOPHENOL-1,8-NAPHTHALEIN | Definition date: | 2005-08-03 | Last modified: | 2021-03-13 | Identifier: | 3,3-bis(3-bromo-4-hydroxyphenyl)-7-chloro-1H,3H-benzo[de]isochromen-1-one |
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![GB4 GB4](https://data.pdbj.org/pdbjplus/data/cc/svg/GB4.svg) | GB4 | Name: | (2E)-3-(2,4-DICHLOROPHENYL)-N-HYDROXYACRYLAMIDE | Formula: | C9 H7 Cl2 N O2 | SMILES: | Clc1cc(Cl)ccc1/C=C/C(=O)NO | InChi: | InChI=1S/C9H7Cl2NO2/c10-7-3-1-6(8(11)5-7)2-4-9(13)12-14/h1-5,14H,(H,12,13)/b4-2+ | Synonyms: | 2,4-DICHLOROCINNAMYLHYDROXAMATE | Definition date: | 2006-10-05 | Last modified: | 2021-03-13 | Identifier: | (2E)-3-(2,4-dichlorophenyl)-N-hydroxyprop-2-enamide |
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![GBM GBM](https://data.pdbj.org/pdbjplus/data/cc/svg/GBM.svg) | GBM | Name: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide | Formula: | C23 H28 Cl N3 O5 S | SMILES: | O=C(NC1CCCCC1)NS(=O)(=O)c3ccc(CCNC(=O)c2c(OC)ccc(Cl)c2)cc3 | InChi: | InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29) | Synonyms: | Glibenclamide | Definition date: | 2015-04-03 | Last modified: | 2021-03-13 | Release date: | 2015-11-25 | Identifier: | 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide |
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![GD1 GD1](https://data.pdbj.org/pdbjplus/data/cc/svg/GD1.svg) | GD1 | Name: | 2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | Formula: | C7 H7 N5 O | SMILES: | O=C1c2c(cnc2N=C(N)N1)C=[N@H] | InChi: | InChI=1S/C7H7N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h1-2,8H,(H4,9,10,11,12,13)/b8-1- | Synonyms: | 7-cyano-7-deazaguanine, bound form | Definition date: | 2012-05-25 | Last modified: | 2021-03-13 | Identifier: | 2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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![IWR IWR](https://data.pdbj.org/pdbjplus/data/cc/svg/IWR.svg) | IWR | Name: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide | Formula: | C25 H19 N3 O3 | SMILES: | O=C(Nc2c1ncccc1ccc2)c3ccc(cc3)N5C(=O)C6C4C=CC(C4)C6C5=O | InChi: | InChI=1S/C25H19N3O3/c29-23(27-19-5-1-3-14-4-2-12-26-22(14)19)15-8-10-18(11-9-15)28-24(30)20-16-6-7-17(13-16)21(20)25(28)31/h1-12,16-17,20-21H,13H2,(H,27,29)/t16-,17+,20-,21+ | Synonyms: | 4-[(1R,2S,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.0{2,6}]dec-8-en-4-yl]-N-(quinolin-8-yl)benzamide | Definition date: | 2011-11-03 | Last modified: | 2021-03-13 | Identifier: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(quinolin-8-yl)benzamide |
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![IXN IXN](https://data.pdbj.org/pdbjplus/data/cc/svg/IXN.svg) | IXN | Name: | 2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine | Formula: | C31 H43 N9 O8 S | SMILES: | O=C(c1ccccc1O)NS(=O)(=O)OCC5OC(n3cnc2c(nc(nc23)n4nnc(c4)CCCCCCCCCCCC)N)C(O)C5O | InChi: | InChI=1S/C31H43N9O8S/c1-2-3-4-5-6-7-8-9-10-11-14-20-17-40(38-36-20)31-34-27(32)24-28(35-31)39(19-33-24)30-26(43)25(42)23(48-30)18-47-49(45,46)37-29(44)21-15-12-13-16-22(21)41/h12-13,15-17,19,23,25-26,30,41-43H,2-11,14,18H2,1H3,(H,37,44)(H2,32,34,35)/t23-,25-,26-,30-/m1/s1 | Synonyms: | 2-(4-n-dodecyl-1,2,3-triazol-1-yl)-5'-O-[N-(2-hydroxybenzoyl)sulfamoyl]adenosine | Definition date: | 2010-08-03 | Last modified: | 2021-03-13 | Identifier: | 2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine |
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![IZA IZA](https://data.pdbj.org/pdbjplus/data/cc/svg/IZA.svg) | IZA | Name: | 2-TERT-BUTYL-9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLINE-7-ONE | Formula: | C18 H16 F N3 O | SMILES: | O=C4NC=Cc3c1c(nc(n1)C(C)(C)C)c2ccc(F)cc2c34 | InChi: | InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22) | Synonyms: | 2-(1,1-DIMETHYLETHYL)9-FLUORO-3,6-DIHYDRO-7H-BENZ[H]-IMIDAZ[4,5-F]ISOQUINOLIN-7-ONE | Definition date: | 2005-10-05 | Last modified: | 2021-03-13 | Identifier: | 2-tert-butyl-9-fluoro-3,6-dihydro-7H-benzo[h]imidazo[4,5-f]isoquinolin-7-one |
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![J14 J14](https://data.pdbj.org/pdbjplus/data/cc/svg/J14.svg) | J14 | Name: | N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine | Formula: | C21 H30 F N5 | SMILES: | Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C | InChi: | InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20-/m1/s1 | Synonyms: | N1-{(3'S,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | Definition date: | 2009-09-23 | Last modified: | 2021-03-13 | Identifier: | N-{(3S,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine |
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![J1F J1F](https://data.pdbj.org/pdbjplus/data/cc/svg/J1F.svg) | J1F | Name: | ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid | Formula: | C24 H32 N13 O10 P | SMILES: | C(N(CC(NCC3C(C(C(n2cnc1c(ncnc12)N)O3)O)O)=O)C(=O)CNC(C=5C(C)(C)NC4=C(C(=O)NC(=N4)N)N=5)=O)P(O)(O)=O | InChi: | InChI=1S/C24H32N13O10P/c1-24(2)16(32-13-18(35-24)33-23(26)34-20(13)42)21(43)28-4-11(39)36(8-48(44,45)46)5-10(38)27-3-9-14(40)15(41)22(47-9)37-7-31-12-17(25)29-6-30-19(12)37/h6-7,9,14-15,22,40-41H,3-5,8H2,1-2H3,(H,27,38)(H,28,43)(H2,25,29,30)(H2,44,45,46)(H4,26,33,34,35,42)/t9-,14-,15-,22-/m1/s1 | Synonyms: | 5'-{[N-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)glycyl-N-(phosphonomethyl)glycyl]amino}-5'-deoxyadenosine | Definition date: | 2017-08-17 | Last modified: | 2021-03-13 | Release date: | 2018-08-15 | Identifier: | 5'-{[N-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)glycyl-N-(phosphonomethyl)glycyl]amino}-5'-deoxyadenosine |
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![J1I J1I](https://data.pdbj.org/pdbjplus/data/cc/svg/J1I.svg) | J1I | Name: | 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine | Formula: | C24 H35 N12 O8 P S | SMILES: | NC=1NC(=O)C=2N=C(C(C)(NC=2N=1)C)C(=O)NCCN(CCSCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)CP(O)(O)=O | InChi: | InChI=1S/C24H35N12O8PS/c1-24(2)16(31-13-18(34-24)32-23(26)33-20(13)39)21(40)27-3-4-35(10-45(41,42)43)5-6-46-7-11-14(37)15(38)22(44-11)36-9-30-12-17(25)28-8-29-19(12)36/h8-9,11,14-15,22,37-38H,3-7,10H2,1-2H3,(H,27,40)(H2,25,28,29)(H2,41,42,43)(H4,26,32,33,34,39)/t11-,14-,15-,22-/m1/s1 | Synonyms: | (((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)ethyl)(2-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)ethyl)amino)methyl)phosphonic acid | Definition date: | 2017-08-17 | Last modified: | 2021-03-13 | Release date: | 2018-08-15 | Identifier: | 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine |
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![J6S J6S](https://data.pdbj.org/pdbjplus/data/cc/svg/J6S.svg) | J6S | Name: | (3E,5E)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid | Formula: | C12 H9 N O5 | SMILES: | C(C([C@H]=CC=Cc1ccc([N+](=O)[O-])cc1)=O)(O)=O | InChi: | InChI=1S/C12H9NO5/c14-11(12(15)16)4-2-1-3-9-5-7-10(8-6-9)13(17)18/h1-8H,(H,15,16)/b3-1+,4-2+ | Synonyms: | 4-nitro-cinnamylidenepyruvate, bound form | Definition date: | 2018-08-15 | Last modified: | 2021-03-13 | Release date: | 2019-08-14 | Identifier: | (3E,5E)-6-(4-nitrophenyl)-2-oxohexa-3,5-dienoic acid |
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![J90 J90](https://data.pdbj.org/pdbjplus/data/cc/svg/J90.svg) | J90 | Name: | 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide | Formula: | C11 H11 N5 O5 S | SMILES: | O=[N+]([O-])C1=C(N=CNC1=O)NCc2ccc(cc2)S(=O)(=O)N | InChi: | InChI=1S/C11H11N5O5S/c12-22(20,21)8-3-1-7(2-4-8)5-13-10-9(16(18)19)11(17)15-6-14-10/h1-4,6H,5H2,(H2,12,20,21)(H2,13,14,15,17) | Synonyms: | 4-{[(5-nitro-6-oxo-1,6-dihydro-4-pyrimidinyl)amino]methyl}benzenesulfonamide | Definition date: | 2010-04-22 | Last modified: | 2021-03-13 | Identifier: | 4-{[(5-nitro-6-oxo-1,6-dihydropyrimidin-4-yl)amino]methyl}benzenesulfonamide |
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![L07 L07](https://data.pdbj.org/pdbjplus/data/cc/svg/L07.svg) | L07 | Name: | 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine | Formula: | C13 H13 N3 S | SMILES: | n2c1ccccc1c3sc(nc3c2N)CCC | InChi: | InChI=1S/C13H13N3S/c1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14/h3-4,6-7H,2,5H2,1H3,(H2,14,15) | Synonyms: | CL075 | Definition date: | 2013-01-22 | Last modified: | 2021-03-13 | Release date: | 2013-04-03 | Identifier: | 2-propyl[1,3]thiazolo[4,5-c]quinolin-4-amine |
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![WZB WZB](https://data.pdbj.org/pdbjplus/data/cc/svg/WZB.svg) | WZB | Name: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE | Formula: | C20 H30 N2 O6 S2 | SMILES: | O=S(=O)(Oc1cc4c(cc1CC)C3CCC2(C(CCC2OS(=O)(=O)N)C3CC4)C)N | InChi: | InChI=1S/C20H30N2O6S2/c1-3-12-10-16-13(11-18(12)27-29(21,23)24)4-5-15-14(16)8-9-20(2)17(15)6-7-19(20)28-30(22,25)26/h10-11,14-15,17,19H,3-9H2,1-2H3,(H2,21,23,24)(H2,22,25,26)/t14-,15+,17-,19-,20-/m0/s1 | Synonyms: | 2-ETHYLESTRADIOL 3,17-O,O-BIS-SULFAMATE | Definition date: | 2009-11-23 | Last modified: | 2021-03-13 | Identifier: | (9beta,13alpha,14beta,17alpha)-2-ethylestra-1(10),2,4-triene-3,17-diyl disulfamate |
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![L17 L17](https://data.pdbj.org/pdbjplus/data/cc/svg/L17.svg) | L17 | Name: | L17 | Formula: | C22 H20 Cl2 F2 N4 O3 | SMILES: | Clc1cccc(c1)C(NC(=O)Cc3[n+]([O-])c(NCC(F)(F)c2[n+]([O-])cccc2)ccc3Cl)C | InChi: | InChI=1S/C22H20Cl2F2N4O3/c1-14(15-5-4-6-16(23)11-15)28-21(31)12-18-17(24)8-9-20(30(18)33)27-13-22(25,26)19-7-2-3-10-29(19)32/h2-11,14,27H,12-13H2,1H3,(H,28,31)/t14-/m1/s1 | Synonyms: | 2-(3-CHLORO-6-{[2,2-DIFLUORO-2-(1-OXIDOPYRIDIN-2-YL)ETHYL]AMINO}-1-OXIDOPYRIDIN-2-YL)-N-[1-(3-CHLOROPHENYL)ETHYL]ACETAMIDE | Definition date: | 2005-04-04 | Last modified: | 2021-03-13 | Identifier: | 2-(3-chloro-6-{[2,2-difluoro-2-(1-oxidopyridin-2-yl)ethyl]amino}-1-oxidopyridin-2-yl)-N-[(1R)-1-(3-chlorophenyl)ethyl]acetamide |
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![L1E L1E](https://data.pdbj.org/pdbjplus/data/cc/svg/L1E.svg) | L1E | Name: | N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine | Formula: | C26 H19 Cl N8 | SMILES: | Clc1ccc(cc1)Nc2nccc3c2ccc(c3Nc6ncccc6c4ncnc5ncnc45)C | InChi: | InChI=1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33) | Synonyms: | N5-(3-(9H-purin-6-yl)pyridin-2-yl)-N1-(4-chlorophenyl)-6-methylisoquinoline-1,5-diamine | Definition date: | 2009-08-03 | Last modified: | 2021-03-13 | Identifier: | N~1~-(4-chlorophenyl)-6-methyl-N~5~-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine |
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![X05 X05](https://data.pdbj.org/pdbjplus/data/cc/svg/X05.svg) | X05 | Name: | AMINO-CASTANOSPERMINE | Formula: | C8 H16 N2 O3 | SMILES: | OC1CCN2C1C(O)C(O)C(N)C2 | InChi: | InChI=1S/C8H16N2O3/c9-4-3-10-2-1-5(11)6(10)8(13)7(4)12/h4-8,11-13H,1-3,9H2/t4-,5-,6+,7+,8+/m0/s1 | Synonyms: | (1S,6S,7R,8R,8AR)-6-AMINOOCTAHYDROINDOLIZINE-1,7,8-TRIOL | Definition date: | 2009-12-05 | Last modified: | 2021-03-13 | Identifier: | (1S,6S,7R,8R,8aR)-6-aminooctahydroindolizine-1,7,8-triol |
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![L1P L1P](https://data.pdbj.org/pdbjplus/data/cc/svg/L1P.svg) | L1P | Name: | 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL | Formula: | C43 H89 O6 P | SMILES: | O=P(O)(O)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C | InChi: | InChI=1S/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46)/t37-,38-,39-,40-,41-,42-,43+/m1/s1 | Synonyms: | 1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCERO-3-PHOSPHATE | Definition date: | 1999-09-22 | Last modified: | 2021-03-13 | Identifier: | (2S)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propyl dihydrogen phosphate |
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![L2D L2D](https://data.pdbj.org/pdbjplus/data/cc/svg/L2D.svg) | L2D | Name: | {2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron | Formula: | C22 H26 Fe N4 O4 | SMILES: | O=C6O[Fe]2587OC(=O)CN8(Cc1n2cccc1)C3CCCCC3N7(Cc4ccccn45)C6 | InChi: | InChI=1S/C22H28N4O4.Fe/c27-21(28)15-25(13-17-7-3-5-11-23-17)19-9-1-2-10-20(19)26(16-22(29)30)14-18-8-4-6-12-24-18 | Synonyms: | Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine | Definition date: | 2012-02-16 | Last modified: | 2021-03-13 | Identifier: | {2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron (non-preferred name) |
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![L2P L2P](https://data.pdbj.org/pdbjplus/data/cc/svg/L2P.svg) | L2P | Name: | 2,3-DI-PHYTANYL-GLYCEROL | Formula: | C43 H88 O3 | SMILES: | OCC(OCCC(CCCC(CCCC(C)CCCC(C)C)C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C | InChi: | InChI=1S/C43H88O3/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-45-34-43(33-44)46-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-44H,11-34H2,1-10H3/t37-,38-,39-,40-,41-,42-,43-/m1/s1 | Synonyms: | 1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL | Definition date: | 1999-09-22 | Last modified: | 2021-03-13 | Identifier: | (2R)-2,3-bis{[(3R,7R,11R)-3,7,11,15-tetramethylhexadecyl]oxy}propan-1-ol |
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![X22 X22](https://data.pdbj.org/pdbjplus/data/cc/svg/X22.svg) | X22 | Name: | (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide | Formula: | C28 H36 N4 O4 | SMILES: | O=C(NC(c1ccccc1)c2ccccc2)C4N3C(=O)C(NC(=O)C(N)CC)C(CCC3CC4)CO | InChi: | InChI=1S/C28H36N4O4/c1-2-22(29)26(34)31-25-20(17-33)13-14-21-15-16-23(32(21)28(25)36)27(35)30-24(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,20-25,33H,2,13-17,29H2,1H3,(H,30,35)(H,31,34)/t20-,21+,22+,23+,25+/m1/s1 | Synonyms: | 2(S),3(S),6(S),7(S),9a(S) 6-(2-Amino-butyrylamino)-7-hydroxymethyl-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carboxylic acid benzhydryl-amide | Definition date: | 2008-03-21 | Last modified: | 2021-03-13 | Identifier: | (3S,6S,7S,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-N-(diphenylmethyl)-7-(hydroxymethyl)-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide |
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