![H8D H8D](https://data.pdbj.org/pdbjplus/data/cc/svg/H8D.svg) | H8D | 表記: | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide | 組成式: | C20 H25 N3 O2 | SMILES: | c3ccc2C=1C(N(C)CC(C(NC(CO)CC)=O)C=1)Cc4c2c3nc4 | InChi: | InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1 | 別名: | methylergonovine | 定義日: | 2018-06-15 | 最終更新日: | 2020-06-17 | 公開日: | 2018-08-29 | 識別子(ID): | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide |
|
![HQL HQL](https://data.pdbj.org/pdbjplus/data/cc/svg/HQL.svg) | HQL | 表記: | 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE | 組成式: | C22 H27 N5 O | SMILES: | O(C2CCN(CCCc1nnnn1)CC2)C(c3ccccc3)c4ccccc4 | InChi: | InChI=1S/C22H27N5O/c1-3-8-18(9-4-1)22(19-10-5-2-6-11-19)28-20-13-16-27(17-14-20)15-7-12-21-23-25-26-24-21/h1-6,8-11,20,22H,7,12-17H2,(H,23,24,25,26) | 別名: | HQL-79 | 定義日: | 2005-06-15 | 最終更新日: | 2020-06-17 | 識別子(ID): | 4-(diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine |
|
![61W 61W](https://data.pdbj.org/pdbjplus/data/cc/svg/61W.svg) | 61W | 表記: | 3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole | 組成式: | C18 H22 N2 O | SMILES: | c2(cc(c1ccc(C)cc1)no2)C3=CCCN(CCC)C3 | InChi: | InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3 | 別名: | PD144418 | 定義日: | 2016-01-14 | 最終更新日: | 2020-06-17 | 公開日: | 2016-04-06 | 識別子(ID): | 5-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-1-propyl-1,2,3,6-tetrahydropyridine |
|
![HTF HTF](https://data.pdbj.org/pdbjplus/data/cc/svg/HTF.svg) | HTF | 表記: | N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE | 組成式: | C12 H21 N O3 | SMILES: | O=C1OCCC1NC(=O)CCCCCCC | InChi: | InChI=1S/C12H21NO3/c1-2-3-4-5-6-7-11(14)13-10-8-9-16-12(10)15/h10H,2-9H2,1H3,(H,13,14)/t10-/m0/s1 | 別名: | N-OCTANOYL-L-HOMOSERINE LACTONE | 定義日: | 2005-09-14 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[(3S)-2-oxotetrahydrofuran-3-yl]octanamide |
|
![HY0 HY0](https://data.pdbj.org/pdbjplus/data/cc/svg/HY0.svg) | HY0 | 表記: | HYGROMYCIN B VARIANT | 組成式: | C20 H37 N3 O13 | SMILES: | O1C4C(OC12OC(C(O)C(O)C2O)C(N)CO)C(O)C(OC4OC3C(O)C(N)CC(NC)C3O)CO | InChi: | InChI=1S/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3/t5-,6+,7+,8-,9+,10-,11+,12-,13+,14-,15-,16+,17+,18-,19+,20-/m1/s1 | 別名: | (2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-[(1R,2S,3R,5S,6R)-3-azanyl-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy-6'-[(1S)
-1-azanyl-2-hydroxy-ethyl]-6-(hydroxymethyl)spiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-2,2'-oxane]-3',4',5',
7-tetrol | 定義日: | 2010-11-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R,3'R,3aS,4S,4'S,5'R,6R,6'R,7S,7aS)-4-{[(1R,2S,3R,5S,6R)-3-amino-2,6-dihydroxy-5-(methylamino)cyclohexyl]oxy}-6'-[(1S)-1-amino-2-hydroxyethyl]-6-(hydroxymethyl)octahydro-4H-spiro[1,3-dioxolo[4,5-c]pyran-2,2'-pyran]-3',4',5',7-tetrol (non-preferred name) |
|
![N34 N34](https://data.pdbj.org/pdbjplus/data/cc/svg/N34.svg) | N34 | 表記: | N-{3-[1-(3,3-Dimethyl-butyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydro-pyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxo-1,2-dihydro
-1lambda6-benzo[1,2,4]thiadiazin-7-yl}-methanesulfonamide | 組成式: | C21 H29 N5 O6 S2 | SMILES: | O=S(=O)(Nc1ccc2N=C(NS(=O)(=O)c2c1)C3=C(O)C4N(N(C3=O)CCC(C)(C)C)CCC4)C | InChi: | InChI=1S/C21H29N5O6S2/c1-21(2,3)9-11-26-20(28)17(18(27)15-6-5-10-25(15)26)19-22-14-8-7-13(23-33(4,29)30)12-16(14)34(31,32)24-19/h7-8,12,15,23,27H,5-6,9-11H2,1-4H3,(H,22,24)/t15-/m0/s1 | 別名: | N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,
2,4-benzothiadiazin-7-yl}methanesulfonamide | 定義日: | 2008-05-01 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-{3-[(4aS)-1-(3,3-dimethylbutyl)-4-hydroxy-2-oxo-1,2,4a,5,6,7-hexahydropyrrolo[1,2-b]pyridazin-3-yl]-1,1-dioxido-2H-1,2,4-benzothiadiazin-7-yl}methanesulfonamide |
|
![N5A N5A](https://data.pdbj.org/pdbjplus/data/cc/svg/N5A.svg) | N5A | 表記: | 5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE | 組成式: | C12 H17 N7 O4 | SMILES: | O=C(NCCN)C3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1 | 別名: | (2S,3S,4R,5R)-N-(2-AMINOETHYL)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE | 定義日: | 2006-06-26 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S,3S,4R,5R)-N-(2-aminoethyl)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-carboxamide (non-preferred name) |
|
![N5O N5O](https://data.pdbj.org/pdbjplus/data/cc/svg/N5O.svg) | N5O | 表記: | 5'-N-(2-HYDROXYL)ETHYL CARBOXYAMIDO ADENOSINE | 組成式: | C12 H16 N6 O5 | SMILES: | O=C(NCCO)C3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C12H16N6O5/c13-9-5-10(16-3-15-9)18(4-17-5)12-7(21)6(20)8(23-12)11(22)14-1-2-19/h3-4,6-8,12,19-21H,1-2H2,(H,14,22)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1 | 別名: | (2S,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-N-(2-HYDROXYETHYL)TETRAHYDROFURAN-2-CARBOXAMIDE | 定義日: | 2006-06-28 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-N-(2-hydroxyethyl)tetrahydrofuran-2-carboxamide (non-preferred name) |
|
![N6S N6S](https://data.pdbj.org/pdbjplus/data/cc/svg/N6S.svg) | N6S | 表記: | (2S)-N6-(1-Methyl-2-phenylethyl)adenosine-3',5'-cyclic monophosphate | 組成式: | C19 H22 N5 O6 P | SMILES: | O=P4(OCC5OC(n2c3ncnc(NC(C)Cc1ccccc1)c3nc2)C(O)C5O4)O | InChi: | InChI=1S/C19H22N5O6P/c1-11(7-12-5-3-2-4-6-12)23-17-14-18(21-9-20-17)24(10-22-14)19-15(25)16-13(29-19)8-28-31(26,27)30-16/h2-6,9-11,13,15-16,19,25H,7-8H2,1H3,(H,26,27)(H,20,21,23)/t11-,13-,15+,16-,19+/m0/s1 | 別名: | (2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphi
nine-2,7-diol 2-oxide | 定義日: | 2009-07-08 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2S,4aS,6R,7R,7aR)-6-(6-{[(1S)-1-methyl-2-phenylethyl]amino}-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-oxide |
|
![4HF 4HF](https://data.pdbj.org/pdbjplus/data/cc/svg/4HF.svg) | 4HF | 表記: | N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC
ACID | 組成式: | C19 H23 N5 O6 S | SMILES: | O=C(O)C(NC(=O)c1sc(cc1)CCC3CNC=2N=C(N)NC(=O)C=2C3)CCC(=O)O | InChi: | InChI=1S/C19H23N5O6S/c20-19-23-15-11(16(27)24-19)7-9(8-21-15)1-2-10-3-5-13(31-10)17(28)22-12(18(29)30)4-6-14(25)26/h3,5,9,12H,1-2,4,6-8H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t9-,12+/m1/s1 | 別名: | 6R-2',5'-THIENYL-5,10-DIDEAZATETRAHYDROFOLIC ACID | 定義日: | 2006-02-27 | 最終更新日: | 2020-06-17 | 識別子(ID): | N-[(5-{2-[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}thiophen-2-yl)carbonyl]-L-glutamic acid |
|
![4JF 4JF](https://data.pdbj.org/pdbjplus/data/cc/svg/4JF.svg) | 4JF | 表記: | (1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11
'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino
-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside | 組成式: | C68 H90 N6 O24 | SMILES: | c2c(c1C(C=%12C(C(c1c(c2)O)=O)=C4C(C(OC3OC(C(C(C3)O)N(C)C)C)C(C(C4=O)C5C(=O)C=8C(C(C5(CC)OC6CC(OC)C(C(C)O6)O)OC7CC(C(C(O7)C)N(C)C)O)=C(C9C=8C(=O)C%10C(=CCC(=C%10C9=O)O)O)NN)(CC)OC%11OC(C)C(C(C%11)OC)O)C=%12NN)=O)O | InChi: | InChI=1S/C68H90N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-17,23-26,31-38,40,48-49,51-52,55-58,65-66,71-72,75-82H,13-14,18-22,69-70H2,1-12H3/t23-,24-,25-,26-,31-,32-,33-,34-,35+,36+,37-,38-,40-,48+,49-,51-,52-,55-,56-,57-,58-,65+,66+,67-,68-/m0/s1 | 別名: | Lomaiviticin A | 定義日: | 2016-03-18 | 最終更新日: | 2020-06-17 | 公開日: | 2016-06-01 | 識別子(ID): | (1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside |
|
![NAT NAT](https://data.pdbj.org/pdbjplus/data/cc/svg/NAT.svg) | NAT | 表記: | ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE | 組成式: | C14 H16 N2 O3 S | SMILES: | S=C2NC(c1cc(O)ccc1)C(=C(N2)C)C(=O)OCC | InChi: | InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1 | 別名: | MONASTROL | 定義日: | 2003-07-21 | 最終更新日: | 2020-06-17 | 識別子(ID): | ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
|
![4KO 4KO](https://data.pdbj.org/pdbjplus/data/cc/svg/4KO.svg) | 4KO | 表記: | (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia
-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | 組成式: | C15 H17 N7 O5 S3 | SMILES: | N#CCSCC(=O)NC3(OC)C(=O)N2C(=C(CSc1nnnn1C)CSC23)C(=O)O | InChi: | InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1 | 別名: | Cefmetazole | 定義日: | 2013-05-13 | 最終更新日: | 2020-06-17 | 公開日: | 2013-06-05 | 識別子(ID): | (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
|
![4LS 4LS](https://data.pdbj.org/pdbjplus/data/cc/svg/4LS.svg) | 4LS | 表記: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono
-D-ribitol | 組成式: | C22 H31 N4 O9 P | SMILES: | C=12N(c3c(N(CC(C(C(COP(=O)(O)O)O)O)O)C=1NC(=O)NC2=O)cc(C)c(C)c3)CC=C(/C)C | InChi: | InChI=1S/C22H31N4O9P/c1-11(2)5-6-25-14-7-12(3)13(4)8-15(14)26(20-18(25)21(30)24-22(31)23-20)9-16(27)19(29)17(28)10-35-36(32,33)34/h5,7-8,16-17,19,27-29H,6,9-10H2,1-4H3,(H2,32,33,34)(H2,23,24,30,31)/t16-,17+,19-/m0/s1 | 別名: | dimethylallyl FMN | 定義日: | 2015-04-14 | 最終更新日: | 2020-06-17 | 公開日: | 2015-06-17 | 識別子(ID): | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
|
![4LU 4LU](https://data.pdbj.org/pdbjplus/data/cc/svg/4LU.svg) | 4LU | 表記: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y
l)-D-ribitol | 組成式: | C22 H30 N4 O9 P | SMILES: | c1c3c4c(c(c1C)C)C(C)(CC=[N+]4C2=C(NC(NC2=O)=O)N3CC(C(C(O)COP(O)(O)=O)O)O)C | InChi: | InChI=1S/C22H29N4O9P/c1-10-7-12-16-15(11(10)2)22(3,4)5-6-25(16)17-19(23-21(31)24-20(17)30)26(12)8-13(27)18(29)14(28)9-35-36(32,33)34/h6-7,13-14,18,27-29H,5,8-9H2,1-4H3,(H3-,23,24,30,31,32,33,34)/p+1/t13-,14+,18-/m0/s1 | 別名: | prenylated-FMN iminium form | 定義日: | 2015-04-14 | 最終更新日: | 2020-06-17 | 公開日: | 2015-06-17 | 識別子(ID): | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-yl)-D-ribitol |
|
![4MJ 4MJ](https://data.pdbj.org/pdbjplus/data/cc/svg/4MJ.svg) | 4MJ | 表記: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1
,8-fg]pteridin-7-yl]-D-ribitol | 組成式: | C30 H37 N4 O10 P | SMILES: | c2c5N(C=1NC(NC(C=1N3c5c(c(c2C)C)C(C)(CC3C(=O)Cc4ccccc4)C)=O)=O)CC(C(C(COP(O)(O)=O)O)O)O | InChi: | InChI=1S/C30H37N4O10P/c1-15-10-18-24-23(16(15)2)30(3,4)12-19(20(35)11-17-8-6-5-7-9-17)34(24)25-27(31-29(40)32-28(25)39)33(18)13-21(36)26(38)22(37)14-44-45(41,42)43/h5-10,19,21-22,26,36-38H,11-14H2,1-4H3,(H2,41,42,43)(H2,31,32,39,40)/t19-,21-,22+,26-/m0/s1 | 別名: | phenylpyruvate derived adduct to prenylated FMN cofactor | 定義日: | 2015-04-16 | 最終更新日: | 2020-06-17 | 公開日: | 2015-06-17 | 識別子(ID): | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1,8-fg]pteridin-7-yl]-D-ribitol |
|
![4P6 4P6](https://data.pdbj.org/pdbjplus/data/cc/svg/4P6.svg) | 4P6 | 表記: | (3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine | 組成式: | C15 H14 N2 S | SMILES: | c1cncc(c1)C=2/C(CCCN=2)=C/c3cccs3 | InChi: | InChI=1S/C15H14N2S/c1-5-13(11-16-7-1)15-12(4-2-8-17-15)10-14-6-3-9-18-14/h1,3,5-7,9-11H,2,4,8H2/b12-10+ | 別名: | 2-thiophenylmethylene anabaseine | 定義日: | 2015-04-30 | 最終更新日: | 2020-06-17 | 公開日: | 2015-05-13 | 識別子(ID): | (3E)-3-(thiophen-2-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine |
|
![4P7 4P7](https://data.pdbj.org/pdbjplus/data/cc/svg/4P7.svg) | 4P7 | 表記: | (3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine | 組成式: | C15 H15 N3 | SMILES: | c1cc(cnc1)C=3C(=Cc2ccnc2)CCCN=3 | InChi: | InChI=1S/C15H15N3/c1-4-14(11-16-6-1)15-13(3-2-7-18-15)9-12-5-8-17-10-12/h1,4-6,8-11,17H,2-3,7H2/b13-9+ | 別名: | 3-pyrrolylmethylene anabaseine | 定義日: | 2015-04-30 | 最終更新日: | 2020-06-17 | 公開日: | 2015-05-13 | 識別子(ID): | (3E)-3-(1H-pyrrol-3-ylmethylidene)-3,4,5,6-tetrahydro-2,3'-bipyridine |
|
![EGC EGC](https://data.pdbj.org/pdbjplus/data/cc/svg/EGC.svg) | EGC | 表記: | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3-TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOX
Y}-ETHOXY)-ETHANOL | 組成式: | C32 H58 O10 | SMILES: | O(c1ccc(cc1)C(C)(C)CC(C)(C)C)CCOCCOCCOCCOCCOCCOCCOCCOCCO | InChi: | InChI=1S/C32H58O10/c1-31(2,3)28-32(4,5)29-6-8-30(9-7-29)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33/h6-9,33H,10-28H2,1-5H3 | 別名: | TRITON X-100 | 定義日: | 2001-08-02 | 最終更新日: | 2020-06-17 | 識別子(ID): | 26-[4-(1,1,3,3-tetramethylbutyl)phenoxy]-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol |
|
![EHM EHM](https://data.pdbj.org/pdbjplus/data/cc/svg/EHM.svg) | EHM | 表記: | (2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE | 組成式: | C4 H9 N O5 | SMILES: | O=C(NO)C(O)C(O)CO | InChi: | InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3-/m1/s1 | 別名: | D-ERYTHRONOHYDROXAMATE | 定義日: | 2006-08-04 | 最終更新日: | 2020-06-17 | 識別子(ID): | (2R,3R)-N,2,3,4-tetrahydroxybutanamide |
|
![4ST 4ST](https://data.pdbj.org/pdbjplus/data/cc/svg/4ST.svg) | 4ST | 表記: | 1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | 組成式: | C28 H30 N4 O3 | SMILES: | O=C4NCc3c2c1ccccc1n7c2c5n(c6c(c5c34)CCCC6)C8OC7(C)C(OC)C(NC)C8 | InChi: | InChI=1S/C28H30N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,17,20,26,29H,4,6,8,10,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | 別名: | AFN941 | 定義日: | 2005-03-14 | 最終更新日: | 2020-06-17 | 識別子(ID): | (5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,10,11,12,13,15,16-decahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one |
|
![EJZ EJZ](https://data.pdbj.org/pdbjplus/data/cc/svg/EJZ.svg) | EJZ | 表記: | 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | 組成式: | C5 H3 N3 O6 | SMILES: | O=C1NC(C(=O)O)=C(C(=O)N1)[N+]([O-])=O | InChi: | InChI=1S/C5H3N3O6/c9-3-2(8(13)14)1(4(10)11)6-5(12)7-3/h(H,10,11)(H2,6,7,9,12) | 別名: | 5 Nitroorotic Acid | 定義日: | 2010-04-12 | 最終更新日: | 2020-06-17 | 識別子(ID): | 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid |
|
![EL3 EL3](https://data.pdbj.org/pdbjplus/data/cc/svg/EL3.svg) | EL3 | 表記: | (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene | 組成式: | C15 H24 | SMILES: | C3(=C1CCC(C12CCC(C2)C3(C)C)C)C | InChi: | InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12H,5-9H2,1-4H3/t10-,12-,15+/m0/s1 | 別名: | 2,2,3,7R-tetramethyl-1R,8S-tricyclo-[6.2.1.0(4,8)]undec-3-en | 定義日: | 2008-09-22 | 最終更新日: | 2020-06-17 | 識別子(ID): | (3S,3aR,6S)-3,7,7,8-tetramethyl-2,3,4,5,6,7-hexahydro-1H-3a,6-methanoazulene |
|
![ELG ELG](https://data.pdbj.org/pdbjplus/data/cc/svg/ELG.svg) | ELG | 表記: | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te
trahydro-2H-pyran-2-yl]oxy}octanamide | 組成式: | C33 H56 N2 O10 | SMILES: | N(C(CCCCCCC)=O)C(COC1C(C(C(C(O1)CO)O)O)O)C(O)C(O)CCCC(=O)Nc2cccc(c2)CCCCC | InChi: | InChI=1S/C33H56N2O10/c1-3-5-7-8-10-17-28(39)35-24(21-44-33-32(43)31(42)30(41)26(20-36)45-33)29(40)25(37)16-12-18-27(38)34-23-15-11-14-22(19-23)13-9-6-4-2/h11,14-15,19,24-26,29-33,36-37,40-43H,3-10,12-13,16-18,20-21H2,1-2H3,(H,34,38)(H,35,39)/t24-,25+,26+,29-,30-,31-,32+,33-/m0/s1 | 別名: | aGSA[8,P5m] | 定義日: | 2018-01-19 | 最終更新日: | 2020-06-17 | 公開日: | 2019-01-30 | 識別子(ID): | (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(3-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name) |
|
![ELM ELM](https://data.pdbj.org/pdbjplus/data/cc/svg/ELM.svg) | ELM | 表記: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetra
hydro-2H-pyran-2-yl]oxy}octan-2-yl]dodecanamide | 組成式: | C38 H66 N2 O10 | SMILES: | C(CCCCCCCCCC)C(NC(C(O)C(O)CCCC(=O)NCCCCCCc1ccccc1)COC2OC(C(C(C2O)O)O)CO)=O | InChi: | InChI=1S/C38H66N2O10/c1-2-3-4-5-6-7-8-9-16-23-33(44)40-29(27-49-38-37(48)36(47)35(46)31(26-41)50-38)34(45)30(42)22-18-24-32(43)39-25-17-11-10-13-19-28-20-14-12-15-21-28/h12,14-15,20-21,29-31,34-38,41-42,45-48H,2-11,13,16-19,22-27H2,1H3,(H,39,43)(H,40,44)/t29-,30+,31+,34-,35-,36-,37+,38-/m0/s1 | 別名: | aGSA[12,6P] | 定義日: | 2018-01-19 | 最終更新日: | 2020-06-17 | 公開日: | 2019-01-30 | 識別子(ID): | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(6-phenylhexyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]dodecanamide (non-preferred name) |
|