![OM7 OM7](https://data.pdbj.org/pdbjplus/data/cc/svg/OM7.svg) | OM7 | Name: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclo
propyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacycl
opentadecine-14a(5H)-carboxamide | Formula: | C40 H55 N7 O9 S | SMILES: | C6(N3C(CC(Oc2c(nc1c(cc(OC)cc1)n2)C)C3)C(NC5(C(NS(C4(C)CC4)(=O)=O)=O)C(C5)C=CCCCCCC6NC(C(NC(C)=O)C(CC)C)=O)=O)=O | InChi: | InChI=1S/C40H55N7O9S/c1-7-23(2)33(42-25(4)48)35(50)43-30-14-12-10-8-9-11-13-26-21-40(26,38(52)46-57(53,54)39(5)17-18-39)45-34(49)32-20-28(22-47(32)37(30)51)56-36-24(3)41-29-16-15-27(55-6)19-31(29)44-36/h11,13,15-16,19,23,26,28,30,32-33H,7-10,12,14,17-18,20-22H2,1-6H3,(H,42,48)(H,43,50)(H,45,49)(H,46,52)/b13-11-/t23-,26+,28+,30-,32-,33-,40+/m0/s1 | Synonyms: | P4-P5-4 (AJ-65) | Definition date: | 2019-06-28 | Last modified: | 2020-06-17 | Release date: | 2020-03-04 | Identifier: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(N-acetyl-L-isoleucyl)amino]-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-N-[(1-methylcyclopropyl)sulfonyl]-5,16-dioxo-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide |
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![HKT HKT](https://data.pdbj.org/pdbjplus/data/cc/svg/HKT.svg) | HKT | Name: | 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine | Formula: | C17 H16 F N3 O2 S | SMILES: | CNCc1cn(c(c1)c2ccccc2F)[S](=O)(=O)c3cccnc3 | InChi: | InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3 | Synonyms: | Vonoprazan | Definition date: | 2017-10-20 | Last modified: | 2020-06-17 | Release date: | 2018-04-11 | Identifier: | 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine |
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![M51 M51](https://data.pdbj.org/pdbjplus/data/cc/svg/M51.svg) | M51 | Name: | {(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone | Formula: | C22 H30 N6 O S | SMILES: | O=C(N1CCSC1)C5NCC(N4CCN(c3cc(nn3c2ccccc2)C)CC4)C5 | InChi: | InChI=1S/C22H30N6OS/c1-17-13-21(28(24-17)18-5-3-2-4-6-18)26-9-7-25(8-10-26)19-14-20(23-15-19)22(29)27-11-12-30-16-27/h2-6,13,19-20,23H,7-12,14-16H2,1H3/t19-,20-/m0/s1 | Synonyms: | Teneligliptin | Definition date: | 2011-11-08 | Last modified: | 2020-06-17 | Release date: | 2012-10-19 | Identifier: | {(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-yl}(1,3-thiazolidin-3-yl)methanone |
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![HL4 HL4](https://data.pdbj.org/pdbjplus/data/cc/svg/HL4.svg) | HL4 | Name: | N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide | Formula: | C8 H13 N O3 | SMILES: | O=C1OCCC1NC(=O)CCC | InChi: | InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1 | Synonyms: | N-butyryl-L-homoserine lactone | Definition date: | 2010-09-06 | Last modified: | 2020-06-17 | Identifier: | N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide |
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![0O8 0O8](https://data.pdbj.org/pdbjplus/data/cc/svg/0O8.svg) | 0O8 | Name: | (1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate | Formula: | C25 H53 N O4 P | SMILES: | O=P(O)(OC1CC[N+](C)(C)CC1)OCCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3/p+1 | Synonyms: | PERIFOSINE | Definition date: | 2012-03-29 | Last modified: | 2020-06-17 | Release date: | 2012-10-26 | Identifier: | 4-{[(R)-hydroxy(octadecyloxy)phosphoryl]oxy}-1,1-dimethylpiperidinium |
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![0OA 0OA](https://data.pdbj.org/pdbjplus/data/cc/svg/0OA.svg) | 0OA | Name: | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen
(S)-phosphate | Formula: | C35 H69 O10 P | SMILES: | O=P(O)(OC2C(OCC1CCCCC1)CC(O)C(O)C2O)OCC(OC)COCCCCCCCCCCCCCCCCCC | InChi: | InChI=1S/C35H69O10P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-42-27-30(41-2)28-44-46(39,40)45-35-32(25-31(36)33(37)34(35)38)43-26-29-22-19-18-20-23-29/h29-38H,3-28H2,1-2H3,(H,39,40)/t30-,31+,32+,33-,34+,35+/m1/s1 | Synonyms: | phosphatidylinositol ether lipid analogue 24 (PIA24) | Definition date: | 2012-03-30 | Last modified: | 2020-06-17 | Release date: | 2012-10-26 | Identifier: | (1R,2S,3R,4S,6S)-6-(cyclohexylmethoxy)-2,3,4-trihydroxycyclohexyl (2R)-2-methoxy-3-(octadecyloxy)propyl hydrogen (S)-phosphate |
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![HM3 HM3](https://data.pdbj.org/pdbjplus/data/cc/svg/HM3.svg) | HM3 | Name: | (4-chloropyridin-2-yl)methanol | Formula: | C6 H6 Cl N O | SMILES: | Clc1ccnc(c1)CO | InChi: | InChI=1S/C6H6ClNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2 | Synonyms: | 4-chloro-2-hydroxymethylpyridine | Definition date: | 2011-04-14 | Last modified: | 2020-06-17 | Identifier: | (4-chloropyridin-2-yl)methanol |
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![HMX HMX](https://data.pdbj.org/pdbjplus/data/cc/svg/HMX.svg) | HMX | Name: | 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide | Formula: | C12 H18 Cl N7 O | SMILES: | NC(N)=NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2 | InChi: | InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21) | Synonyms: | HMA | Definition date: | 2018-02-15 | Last modified: | 2020-06-17 | Release date: | 2018-12-19 | Identifier: | 3-azanyl-5-(azepan-1-yl)-~{N}-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide |
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![HN5 HN5](https://data.pdbj.org/pdbjplus/data/cc/svg/HN5.svg) | HN5 | Name: | (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol | Formula: | C20 H31 N O3 | SMILES: | OC1CCC(N2C1C(O)C(O)C2)CCc3ccc(cc3)C(C)(C)C | InChi: | InChI=1S/C20H31NO3/c1-20(2,3)14-7-4-13(5-8-14)6-9-15-10-11-16(22)18-19(24)17(23)12-21(15)18/h4-5,7-8,15-19,22-24H,6,9-12H2,1-3H3/t15-,16+,17+,18+,19+/m0/s1 | Synonyms: | (1S,2R,5S,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine | Definition date: | 2008-09-25 | Last modified: | 2020-06-17 | Identifier: | (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol |
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![HN7 HN7](https://data.pdbj.org/pdbjplus/data/cc/svg/HN7.svg) | HN7 | Name: | 1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone | Formula: | C20 H29 N O4 | SMILES: | O=C(c1ccc(cc1)C(C)(C)C)CC2N3C(C(O)CC2)C(O)C(O)C3 | InChi: | InChI=1S/C20H29NO4/c1-20(2,3)13-6-4-12(5-7-13)16(23)10-14-8-9-15(22)18-19(25)17(24)11-21(14)18/h4-7,14-15,17-19,22,24-25H,8-11H2,1-3H3/t14-,15+,17+,18+,19+/m0/s1 | Synonyms: | (1S,2R,5S,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine | Definition date: | 2008-09-25 | Last modified: | 2020-06-17 | Identifier: | 1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone |
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![HN8 HN8](https://data.pdbj.org/pdbjplus/data/cc/svg/HN8.svg) | HN8 | Name: | Haemanthamine | Formula: | C17 H19 N O4 | SMILES: | CO[CH]1C[CH]2[N]3C[CH](O)[C]2(C=C1)c4cc5OCOc5cc4C3 | InChi: | InChI=1S/C17H19NO4/c1-20-11-2-3-17-12-6-14-13(21-9-22-14)4-10(12)7-18(8-16(17)19)15(17)5-11/h2-4,6,11,15-16,19H,5,7-9H2,1H3/t11-,15+,16+,17+/m1/s1 | Synonyms: | Haemanthamin | Definition date: | 2017-08-03 | Last modified: | 2020-06-17 | Release date: | 2018-02-28 |
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![0QF 0QF](https://data.pdbj.org/pdbjplus/data/cc/svg/0QF.svg) | 0QF | Name: | N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morp
holin-4-ylsulfonyl)-L-phenylalaninamide | Formula: | C31 H52 N4 O7 S2 | SMILES: | O=S(=O)(N1CCOCC1)NC(C(=O)NC(SCC)C(=O)NC(CC2CCCCC2)C(O)C(O)CC(C)C)Cc3ccccc3 | InChi: | InChI=1S/C31H52N4O7S2/c1-4-43-31(30(39)32-25(20-23-11-7-5-8-12-23)28(37)27(36)19-22(2)3)33-29(38)26(21-24-13-9-6-10-14-24)34-44(40,41)35-15-17-42-18-16-35/h6,9-10,13-14,22-23,25-28,31,34,36-37H,4-5,7-8,11-12,15-21H2,1-3H3,(H,32,39)(H,33,38)/t25-,26-,27-,28+,31-/m0/s1 | Synonyms: | PD-133,450 | Definition date: | 2010-02-05 | Last modified: | 2020-06-17 | Identifier: | N-[(1S)-2-{[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-methylheptan-2-yl]amino}-1-(ethylsulfanyl)-2-oxoethyl]-Nalpha-(morpholin-4-ylsulfonyl)-L-phenylalaninamide |
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![HNG HNG](https://data.pdbj.org/pdbjplus/data/cc/svg/HNG.svg) | HNG | Name: | 2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | Formula: | C7 H9 N5 O | SMILES: | N2=C(Nc1ncc(c1C2=O)CN)N | InChi: | InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13) | Synonyms: | PreQ1 | Definition date: | 2018-07-12 | Last modified: | 2020-06-17 | Release date: | 2019-04-10 | Identifier: | 2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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![0R0 0R0](https://data.pdbj.org/pdbjplus/data/cc/svg/0R0.svg) | 0R0 | Name: | 2-hydroxybenzonitrile | Formula: | C7 H5 N O | SMILES: | N#Cc1ccccc1O | InChi: | InChI=1S/C7H5NO/c8-5-6-3-1-2-4-7(6)9/h1-4,9H | Synonyms: | 2-Cyanophenol | Definition date: | 2012-04-21 | Last modified: | 2020-06-17 | Release date: | 2012-08-31 | Identifier: | 2-hydroxybenzonitrile |
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![HNQ HNQ](https://data.pdbj.org/pdbjplus/data/cc/svg/HNQ.svg) | HNQ | Name: | 5-nitroquinolin-8-ol | Formula: | C9 H6 N2 O3 | SMILES: | [O-][N+](=O)c1ccc(O)c2ncccc12 | InChi: | InChI=1S/C9H6N2O3/c12-8-4-3-7(11(13)14)6-2-1-5-10-9(6)8/h1-5,12H | Synonyms: | NITROXOLINE | Definition date: | 2010-05-26 | Last modified: | 2020-06-17 | Identifier: | 5-nitroquinolin-8-ol |
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![0RN 0RN](https://data.pdbj.org/pdbjplus/data/cc/svg/0RN.svg) | 0RN | Name: | SULBACTAM | Formula: | C8 H11 N O5 S | SMILES: | O=S2(=O)C(C(N1C(=O)CC12)C(=O)O)(C)C | InChi: | InChI=1S/C8H11NO5S/c1-8(2)6(7(11)12)9-4(10)3-5(9)15(8,13)14/h5-6H,3H2,1-2H3,(H,11,12)/t5-,6+/m1/s1 | Synonyms: | (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide | Definition date: | 2012-06-11 | Last modified: | 2020-06-17 | Release date: | 2012-09-21 | Identifier: | (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide |
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![0RP 0RP](https://data.pdbj.org/pdbjplus/data/cc/svg/0RP.svg) | 0RP | Name: | ethyl
(2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H
)-carboxylate | Formula: | C26 H25 F9 N2 O4 | SMILES: | FC(F)(F)c1cc(cc(c1)C(F)(F)F)CN(C(=O)OC)C3c2c(ccc(c2)C(F)(F)F)N(C(=O)OCC)C(C3)CC | InChi: | InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1 | Synonyms: | Torcetrapib | Definition date: | 2012-05-03 | Last modified: | 2020-06-17 | Release date: | 2012-08-31 | Identifier: | ethyl (2R,4S)-4-{[3,5-bis(trifluoromethyl)benzyl](methoxycarbonyl)amino}-2-ethyl-6-(trifluoromethyl)-3,4-dihydroquinoline-1(2H)-carboxylate |
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![0RV 0RV](https://data.pdbj.org/pdbjplus/data/cc/svg/0RV.svg) | 0RV | Name: | (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrro
le-5-carboxylic acid | Formula: | C17 H25 N3 O6 S | SMILES: | O=C(O)C(C(O)C)C2N=C(C(SC1CC(C(=O)N(C)C)NC1)=C2C)C(=O)O | InChi: | InChI=1S/C17H25N3O6S/c1-7-12(11(8(2)21)16(23)24)19-13(17(25)26)14(7)27-9-5-10(18-6-9)15(22)20(3)4/h8-12,18,21H,5-6H2,1-4H3,(H,23,24)(H,25,26)/t8-,9+,10+,11-,12-/m1/s1 | Synonyms: | Meropenem, hydroxylated form | Definition date: | 2012-05-10 | Last modified: | 2020-06-17 | Identifier: | (2S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-3-methyl-2H-pyrrole-5-carboxylic acid |
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![HP4 HP4](https://data.pdbj.org/pdbjplus/data/cc/svg/HP4.svg) | HP4 | Name: | phosphinate | Formula: | H2 O2 P | SMILES: | [O-][PH2]=O | InChi: | InChI=1S/H3O2P/c1-3-2/h3H2,(H,1,2)/p-1 | Synonyms: | Hypophosphite | Definition date: | 2016-11-14 | Last modified: | 2020-06-17 | Release date: | 2017-11-29 | Identifier: | phosphinate |
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![HP8 HP8](https://data.pdbj.org/pdbjplus/data/cc/svg/HP8.svg) | HP8 | Name: | 5'-O-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine | Formula: | C17 H18 N6 O9 S | SMILES: | O=C(c1cccc(O)c1O)NS(=O)(=O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | InChi: | InChI=1S/C17H18N6O9S/c18-14-10-15(20-5-19-14)23(6-21-10)17-13(27)12(26)9(32-17)4-31-33(29,30)22-16(28)7-2-1-3-8(24)11(7)25/h1-3,5-6,9,12-13,17,24-27H,4H2,(H,22,28)(H2,18,19,20)/t9-,12-,13-,17-/m1/s1 | Synonyms: | 5'-O-[N-(2,3-dihydroxybenzoyl)sulfamoyl] adenosine | Definition date: | 2010-08-03 | Last modified: | 2020-06-17 | Identifier: | 5'-O-[(2,3-dihydroxybenzoyl)sulfamoyl]adenosine |
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![0T1 0T1](https://data.pdbj.org/pdbjplus/data/cc/svg/0T1.svg) | 0T1 | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]
[(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate | Formula: | C22 H38 N7 O16 P3 | SMILES: | O=C(NCCC)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O | InChi: | InChI=1S/C22H38N7O16P3/c1-4-6-24-13(30)5-7-25-20(33)17(32)22(2,3)9-42-48(39,40)45-47(37,38)41-8-12-16(44-46(34,35)36)15(31)21(43-12)29-11-28-14-18(23)26-10-27-19(14)29/h10-12,15-17,21,31-32H,4-9H2,1-3H3,(H,24,30)(H,25,33)(H,37,38)(H,39,40)(H2,23,26,27)(H2,34,35,36)/t12-,15-,16-,17+,21-/m1/s1 | Synonyms: | DETHIACOENZYME A | Definition date: | 2012-05-29 | Last modified: | 2020-06-17 | Release date: | 2013-05-22 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-(propylamino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name) |
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![0TR 0TR](https://data.pdbj.org/pdbjplus/data/cc/svg/0TR.svg) | 0TR | Name: | 2-HYDROXYCYCLOHEPTA-2,4,6-TRIEN-1-ONE | Formula: | C7 H6 O2 | SMILES: | OC1=CC=CC=CC1=O | InChi: | InChI=1S/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9) | Synonyms: | TROPOLONE | Definition date: | 2011-02-17 | Last modified: | 2020-06-17 | Identifier: | 2-hydroxycyclohepta-2,4,6-trien-1-one |
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![HQL HQL](https://data.pdbj.org/pdbjplus/data/cc/svg/HQL.svg) | HQL | Name: | 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE | Formula: | 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) | Synonyms: | HQL-79 | Definition date: | 2005-06-15 | Last modified: | 2020-06-17 | Identifier: | 4-(diphenylmethoxy)-1-[3-(1H-tetrazol-5-yl)propyl]piperidine |
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![7ZU 7ZU](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZU.svg) | 7ZU | Name: | (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(E,2R,5S)-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydr
o-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol | Formula: | C28 H44 O3 | SMILES: | C[CH](C=C[CH](C)C(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O)C3=C | InChi: | InChI=1S/C28H44O3/c1-18(9-10-19(2)27(4,5)31)24-13-14-25-21(8-7-15-28(24,25)6)11-12-22-16-23(29)17-26(30)20(22)3/h9-12,18-19,23-26,29-31H,3,7-8,13-17H2,1-2,4-6H3/b10-9+,21-11+,22-12-/t18-,19+,23-,24-,25+,26+,28-/m1/s1 | Synonyms: | 1,25-dihydroxyvitamin D2 | Definition date: | 2017-02-28 | Last modified: | 2020-06-17 | Release date: | 2017-05-10 | Identifier: | (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(~{E},2~{R},5~{S})-5,6-dimethyl-6-oxidanyl-hept-3-en-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol |
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![7ZV 7ZV](https://data.pdbj.org/pdbjplus/data/cc/svg/7ZV.svg) | 7ZV | Name: | 5-hydroxydiclofenac | Formula: | C14 H11 Cl2 N O3 | SMILES: | OC(=O)Cc1cc(O)ccc1Nc2c(Cl)cccc2Cl | InChi: | InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20) | Synonyms: | 2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid | Definition date: | 2016-12-13 | Last modified: | 2020-06-17 | Release date: | 2017-02-08 | Identifier: | 2-[2-[[2,6-bis(chloranyl)phenyl]amino]-5-oxidanyl-phenyl]ethanoic acid |
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