![EAM EAM](https://data.pdbj.org/pdbjplus/data/cc/svg/EAM.svg) | EAM | 表記: | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide | 組成式: | C22 H22 Cl N5 O2 | SMILES: | Clc4ccc(C1=NC(c3nnc(n3c2c1cc(OC)cc2)C)CC(=O)NCC)cc4 | InChi: | InChI=1S/C22H22ClN5O2/c1-4-24-20(29)12-18-22-27-26-13(2)28(22)19-10-9-16(30-3)11-17(19)21(25-18)14-5-7-15(23)8-6-14/h5-11,18H,4,12H2,1-3H3,(H,24,29)/t18-/m0/s1 | 定義日: | 2010-11-07 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide |
|
![E E](https://data.pdbj.org/pdbjplus/data/cc/svg/E.svg) | E | 表記: | N-((-)-(7S,8R,9S,10R)[7,8,9-TRIHYDROXY-7,8,9,10-TETRA HYDROBENZO[A]PYREN-10-YL])-2'-DEOXY-ADENOSINE-5'-MONOPHOSPHATE | 組成式: | C30 H28 N5 O9 P | SMILES: | O=P(O)(O)OCC8OC(n2cnc1c(ncnc12)NC5c4c7c3c6c(ccc3cc4C(O)C(O)C5O)cccc6cc7)CC8O | InChi: | InChI=1S/C30H28N5O9P/c36-18-9-20(44-19(18)10-43-45(40,41)42)35-12-33-25-29(31-11-32-30(25)35)34-24-23-16-7-6-14-3-1-2-13-4-5-15(22(16)21(13)14)8-17(23)26(37)28(39)27(24)38/h1-8,11-12,18-20,24,26-28,36-39H,9-10H2,(H,31,32,34)(H2,40,41,42)/t18-,19+,20+,24+,26-,27-,28+/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | 2'-deoxy-N-[(7S,8R,9S,10R)-7,8,9-trihydroxy-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-10-yl]adenosine 5'-(dihydrogen phosphate) |
|
![EC2 EC2](https://data.pdbj.org/pdbjplus/data/cc/svg/EC2.svg) | EC2 | 表記: | (2R,3R)-8-CYCLOPROPYL-7-(NAPHTHALEN-1-YLMETHYL)-5-OXO-2-PHENYL-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID | 組成式: | C28 H23 N O3 S | SMILES: | O=C3C=C(C(=C2SC(c1ccccc1)C(N23)C(=O)O)C4CC4)Cc6c5ccccc5ccc6 | InChi: | InChI=1S/C28H23NO3S/c30-23-16-21(15-20-11-6-10-17-7-4-5-12-22(17)20)24(18-13-14-18)27-29(23)25(28(31)32)26(33-27)19-8-2-1-3-9-19/h1-12,16,18,25-26H,13-15H2,(H,31,32)/t25-,26+/m0/s1 | 定義日: | 2010-05-30 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2R,3R)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid |
|
![ECO ECO](https://data.pdbj.org/pdbjplus/data/cc/svg/ECO.svg) | ECO | 表記: | ESTRADIOL-6 CARBOXYL-METHYL-OXIME | 組成式: | C20 H25 N O5 | SMILES: | O=C(O)CON=C4c1cc(O)ccc1C3CCC2(C(CCC2O)C3C4)C | InChi: | InChI=1S/C20H25NO5/c1-20-7-6-13-12-3-2-11(22)8-15(12)17(21-26-10-19(24)25)9-14(13)16(20)4-5-18(20)23/h2-3,8,13-14,16,18,22-23H,4-7,9-10H2,1H3,(H,24,25)/b21-17+/t13-,14-,16+,18+,20+/m1/s1 | 定義日: | 2001-10-18 | 最終更新日: | 2011-06-04 | 識別子(ID): | ({[(6E,9beta,17beta)-3,17-dihydroxyestra-1,3,5(10)-trien-6-ylidene]amino}oxy)acetic acid |
|
![ECS ECS](https://data.pdbj.org/pdbjplus/data/cc/svg/ECS.svg) | ECS | 表記: | 2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE | 組成式: | C18 H24 O3 | SMILES: | Oc1cc4c(cc1O)C3CCC2(C(CCC2O)C3CC4)C | InChi: | InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 | 定義日: | 2005-07-12 | 最終更新日: | 2011-06-04 | 識別子(ID): | (9beta,13alpha,14beta,17alpha)-estra-1,3,5(10)-triene-2,3,17-triol |
|
![EED EED](https://data.pdbj.org/pdbjplus/data/cc/svg/EED.svg) | EED | 表記: | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL | 組成式: | C20 H28 O3 | SMILES: | Oc1cc4c(cc1)C3C(CC2(C(CCC2O)C3CC4)C)COC | InChi: | InChI=1S/C20H28O3/c1-20-10-13(11-23-2)19-15-6-4-14(21)9-12(15)3-5-16(19)17(20)7-8-18(20)22/h4,6,9,13,16-19,21-22H,3,5,7-8,10-11H2,1-2H3/t13-,16+,17+,18+,19-,20+/m1/s1 | 定義日: | 2007-07-11 | 最終更新日: | 2011-06-04 | 識別子(ID): | (9beta,11alpha,13alpha,14beta,17alpha)-11-(methoxymethyl)estra-1(10),2,4-triene-3,17-diol |
|
![JRR JRR](https://data.pdbj.org/pdbjplus/data/cc/svg/JRR.svg) | JRR | 表記: | 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine | 組成式: | C21 H29 F N4 O | SMILES: | Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)cc(c3)C | InChi: | InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m1/s1 | 定義日: | 2010-06-24 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
|
![JRS JRS](https://data.pdbj.org/pdbjplus/data/cc/svg/JRS.svg) | JRS | 表記: | 6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine | 組成式: | C21 H29 F N4 O | SMILES: | Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)cc(c3)C | InChi: | InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20-/m0/s1 | 定義日: | 2010-06-24 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-{[(3S,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
|
![JSR JSR](https://data.pdbj.org/pdbjplus/data/cc/svg/JSR.svg) | JSR | 表記: | 6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine | 組成式: | C21 H29 F N4 O | SMILES: | Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)cc(c3)C | InChi: | InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20-/m1/s1 | 定義日: | 2010-06-24 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-{[(3R,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
|
![JSS JSS](https://data.pdbj.org/pdbjplus/data/cc/svg/JSS.svg) | JSS | 表記: | 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine | 組成式: | C21 H29 F N4 O | SMILES: | Fc1cccc(c1)CCNCCOC2C(CNC2)Cc3nc(N)cc(c3)C | InChi: | InChI=1S/C21H29FN4O/c1-15-9-19(26-21(23)10-15)12-17-13-25-14-20(17)27-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-25H,5-8,12-14H2,1H3,(H2,23,26)/t17-,20+/m0/s1 | 定義日: | 2010-06-23 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-{[(3S,4S)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine |
|
![JZ8 JZ8](https://data.pdbj.org/pdbjplus/data/cc/svg/JZ8.svg) | JZ8 | 表記: | 5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium | 組成式: | C16 H15 N5 | SMILES: | n1c(cc([n+]2c1[nH+]cn2)Nc4cc3ccccc3cc4)C | InChi: | InChI=1S/C16H13N5/c1-11-8-15(21-16(19-11)17-10-18-21)20-14-7-6-12-4-2-3-5-13(12)9-14/h2-10H,1H3,(H,17,18,19,20)/p+2 | 定義日: | 2009-07-17 | 最終更新日: | 2011-06-04 | 識別子(ID): | 5-methyl-7-(naphthalen-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]pyrimidine-3,8-diium |
|
![JZT JZT](https://data.pdbj.org/pdbjplus/data/cc/svg/JZT.svg) | JZT | 表記: | (2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide | 組成式: | C39 H64 N6 O7 | SMILES: | CC(C)(C)[CH](CN1C(=O)CC(C)(C)CC1=O)NC(=O)N[CH]2CCCCCCCCC[CH](NC(=O)[CH]3[CH]4[CH](CN3C2=O)C4(C)C)[CH](O)C(=O)NCC=C | InChi: | InChI=1S/C39H64N6O7/c1-9-19-40-34(50)32(48)25-17-15-13-11-10-12-14-16-18-26(35(51)45-22-24-30(39(24,7)8)31(45)33(49)41-25)42-36(52)43-27(37(2,3)4)23-44-28(46)20-38(5,6)21-29(44)47/h9,24-27,30-32,48H,1,10-23H2,2-8H3,(H,40,50)(H,41,49)(H2,42,43,52)/t24-,25-,26-,27+,30-,31-,32+/m0/s1 | 定義日: | 2009-12-08 | 最終更新日: | 2011-06-04 |
|
![JZU JZU](https://data.pdbj.org/pdbjplus/data/cc/svg/JZU.svg) | JZU | 表記: | 5'-deoxy-5'-(sulfamoylamino)adenosine | 組成式: | C10 H15 N7 O5 S | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CN[S](N)(=O)=O)[CH](O)[CH]3O | InChi: | InChI=1S/C10H15N7O5S/c11-8-5-9(14-2-13-8)17(3-15-5)10-7(19)6(18)4(22-10)1-16-23(12,20)21/h2-4,6-7,10,16,18-19H,1H2,(H2,11,13,14)(H2,12,20,21)/t4-,6-,7-,10-/m1/s1 | 定義日: | 2009-12-30 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-azanyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[(sulfamoylamino)methyl]oxolan-2-yl]purine |
|
![K2B K2B](https://data.pdbj.org/pdbjplus/data/cc/svg/K2B.svg) | K2B | 表記: | (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE | 組成式: | C27 H44 O | SMILES: | O=C4C=C2C(C1CCC3(C(C1CC2)CCC3C(C)CCCC(C)C)C)(C)CC4 | InChi: | InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1 | 定義日: | 2010-02-10 | 最終更新日: | 2011-06-04 | 識別子(ID): | (8alpha,9beta)-cholest-4-en-3-one |
|
![K2C K2C](https://data.pdbj.org/pdbjplus/data/cc/svg/K2C.svg) | K2C | 表記: | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one | 組成式: | C20 H13 N3 O | SMILES: | O=C5c4c1c6c(nc1c3c(c2ccccc2n3)c4CN5)cccc6 | InChi: | InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24) | 定義日: | 2007-09-04 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6,7,12,13-tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one |
|
![KAN KAN](https://data.pdbj.org/pdbjplus/data/cc/svg/KAN.svg) | KAN | 表記: | KANAMYCIN A | 組成式: | C18 H36 N4 O11 | SMILES: | O(C2C(O)C(OC1OC(CN)C(O)C(O)C1O)C(N)CC2N)C3OC(C(O)C(N)C3O)CO | InChi: | InChI=1S/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6-,7-,8+,9-,10-,11-,12+,13-,14-,15+,16-,17-,18-/m1/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (1S,2R,3R,4S,6R)-4,6-diamino-3-[(6-amino-6-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 3-amino-3-deoxy-alpha-D-glucopyranoside |
|
![KIF KIF](https://data.pdbj.org/pdbjplus/data/cc/svg/KIF.svg) | KIF | 表記: | KIFUNENSINE | 組成式: | C8 H12 N2 O6 | SMILES: | O=C1C(=O)NC2N1C(C(O)C(O)C2O)CO | InChi: | InChI=1S/C8H12N2O6/c11-1-2-3(12)4(13)5(14)6-9-7(15)8(16)10(2)6/h2-6,11-14H,1H2,(H,9,15)/t2-,3-,4+,5+,6+/m1/s1 | 定義日: | 2000-10-11 | 最終更新日: | 2011-06-04 | 識別子(ID): | (5R,6R,7S,8R,8aS)-6,7,8-trihydroxy-5-(hydroxymethyl)hexahydroimidazo[1,2-a]pyridine-2,3-dione |
|
![KIQ KIQ](https://data.pdbj.org/pdbjplus/data/cc/svg/KIQ.svg) | KIQ | 表記: | (1S,6R)-3-{[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]CARBONYL}-6-(2,4,5-TRIFLUOROPHENYL)CYCLOHEX-3-EN-1-AMINE | 組成式: | C19 H17 F6 N5 O | SMILES: | Fc1cc(c(F)cc1F)C2C(N)CC(=CC2)C(=O)N4Cc3nnc(n3CC4)C(F)(F)F | InChi: | InChI=1S/C19H17F6N5O/c20-12-7-14(22)13(21)6-11(12)10-2-1-9(5-15(10)26)17(31)29-3-4-30-16(8-29)27-28-18(30)19(23,24)25/h1,6-7,10,15H,2-5,8,26H2/t10-,15+/m1/s1 | 定義日: | 2006-09-05 | 最終更新日: | 2011-06-04 | 識別子(ID): | (1S,6R)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-amine |
|
![FNU FNU](https://data.pdbj.org/pdbjplus/data/cc/svg/FNU.svg) | FNU | 表記: | 6-amino-5-fluorouridine 5'-(dihydrogen phosphate) | 組成式: | C9 H13 F N3 O9 P | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C(F)=C1N)C(O)C2O | InChi: | InChI=1S/C9H13FN3O9P/c10-3-6(11)13(9(17)12-7(3)16)8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,11H2,(H,12,16,17)(H2,18,19,20)/t2-,4-,5-,8-/m1/s1 | 定義日: | 2010-05-24 | 最終更新日: | 2011-06-04 | 識別子(ID): | 6-amino-5-fluorouridine 5'-(dihydrogen phosphate) |
|
![FRE FRE](https://data.pdbj.org/pdbjplus/data/cc/svg/FRE.svg) | FRE | 表記: | FERULOYL COENZYME A | 組成式: | C31 H44 N7 O20 P3 S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=Cc4cc(O)c(O)c(OC)c4 | InChi: | InChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/b5-4+/t19-,24-,25-,26+,30-/m1/s1 | 定義日: | 2004-03-30 | 最終更新日: | 2011-06-04 | 識別子(ID): | S-{(9R,13R,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} (2E)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enethioate (non-preferred name) |
|
![FSH FSH](https://data.pdbj.org/pdbjplus/data/cc/svg/FSH.svg) | FSH | 表記: |
(2R,3S,4S)-5-[(4R)-6',7'-dimethyl-2,3',5-trioxo-1'H-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'H)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate | 組成式: | C27 H35 N9 O16 P2 | SMILES: | O=C1NC(=O)NC13Nc2cc(c(cc2N(C3=O)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C | InChi: | InChI=1S/C27H35N9O16P2/c1-10-3-12-13(4-11(10)2)35(25(43)27(33-12)24(42)32-26(44)34-27)5-14(37)18(39)15(38)6-49-53(45,46)52-54(47,48)50-7-16-19(40)20(41)23(51-16)36-9-31-17-21(28)29-8-30-22(17)36/h3-4,8-9,14-16,18-20,23,33,37-41H,5-7H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H2,32,34,42,44)/t14-,15+,16+,18-,19+,20+,23+,27+/m0/s1 | 定義日: | 2008-06-04 | 最終更新日: | 2011-06-04 | 識別子(ID): | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(4R)-6',7'-dimethyl-2,3',5-trioxo-1'H-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) |
|
![FSN FSN](https://data.pdbj.org/pdbjplus/data/cc/svg/FSN.svg) | FSN | 表記: | (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE | 組成式: | C23 H24 F N4 O2 | SMILES: | Fc1ccc(cc1)CN2C(=O)C5C(C2=O)C3N(CCC3)C5c4ccc(C(=[NH2+])N)cc4 | InChi: | InChI=1S/C23H23FN4O2/c24-16-9-3-13(4-10-16)12-28-22(29)18-17-2-1-11-27(17)20(19(18)23(28)30)14-5-7-15(8-6-14)21(25)26/h3-10,17-20H,1-2,11-12H2,(H3,25,26)/p+1/t17-,18-,19-,20-/m0/s1 | 定義日: | 2003-04-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | amino{4-[(3aS,4R,8aS,8bR)-2-(4-fluorobenzyl)-1,3-dioxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]phenyl}methaniminium |
|
![FUA FUA](https://data.pdbj.org/pdbjplus/data/cc/svg/FUA.svg) | FUA | 表記: | FUSIDIC ACID | 組成式: | C31 H48 O6 | SMILES: | O=C(O)/C(=C2/C1CC(O)C3C(C1(CC2OC(=O)C)C)(C)CCC4C(C)C(O)CCC34C)CCC=C(/C)C | InChi: | InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1 | 定義日: | 1999-07-08 | 最終更新日: | 2011-06-04 | 識別子(ID): | (2Z)-2-[(3beta,4beta,5alpha,8alpha,9beta,11beta,13alpha,16beta,17Z)-16-(acetyloxy)-3,11-dihydroxy-4,8,10,14-tetramethylgonan-17-ylidene]-6-methylhept-5-enoic acid |
|
![I2C I2C](https://data.pdbj.org/pdbjplus/data/cc/svg/I2C.svg) | I2C | 表記: | 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine | 組成式: | C19 H23 N6 O10 P | SMILES: | O=CCc4nc(O)c(c(OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O)c4C)C | InChi: | InChI=1S/C19H23N6O10P/c1-7-9(3-4-26)22-16(29)8(2)14(7)35-36(31,32)33-5-10-12(27)13(28)18(34-10)25-6-21-11-15(25)23-19(20)24-17(11)30/h4,6,10,12-13,18,27-28H,3,5H2,1-2H3,(H,22,29)(H,31,32)(H3,20,23,24,30)/t10-,12-,13-,18-/m1/s1 | 定義日: | 2008-11-21 | 最終更新日: | 2011-06-04 | 識別子(ID): | 5'-O-[(S)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxoethyl)pyridin-4-yl]oxy}phosphoryl]guanosine |
|
![I5A I5A](https://data.pdbj.org/pdbjplus/data/cc/svg/I5A.svg) | I5A | 表記: | 5'-deoxy-5'-iodocytidine | 組成式: | C9 H12 I N3 O4 | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2O)CI | InChi: | InChI=1S/C9H12IN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1 | 定義日: | 2009-10-02 | 最終更新日: | 2011-06-04 | 識別子(ID): | 5'-deoxy-5'-iodocytidine |
|