Cholesteryl-linoleate
General
Type : Cholesterylester || Steroid || Phenanthrene
Chemical_Nomenclature : [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z)-octadeca-9,12-dienoate
Canonical SMILES : CCCCCC=CCC=CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C
InChI : InChI=1S\/C45H76O2\/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44\/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3\/b12-11-,15-14-\/t36-,38+,39+,40-,41+,42+,44+,45-\/m1\/s1
InChIKey : NAACPBBQTFFYQB-LJAITQKLSA-N
Other name(s) : Cholesteryl linoleate, 18:2 Cholesteryl ester, CE(18:2), CE(18:2(9Z,12Z)), 1-linoleoyl-cholesterol, Cholesterol 1-linoleoate
MW : 649.08
Formula : C45H76O2
CAS_number :
PubChem :
UniChem :
Iuphar :
Target
Families : Fungal_carboxylesterase_lipase
References (2)
| Title : Three-dimensional structure of homodimeric cholesterol esterase-ligand complex at 1.4 A resolution - Pletnev_2003_Acta.Crystallogr.D.Biol.Crystallogr_59_50 |
| Author(s) : Pletnev V , Addlagatta A , Wawrzak Z , Duax W |
| Ref : Acta Crystallographica D Biol Crystallogr , 59 :50 , 2003 |
| Abstract : Pletnev_2003_Acta.Crystallogr.D.Biol.Crystallogr_59_50 |
| ESTHER : Pletnev_2003_Acta.Crystallogr.D.Biol.Crystallogr_59_50 |
| PubMedSearch : Pletnev_2003_Acta.Crystallogr.D.Biol.Crystallogr_59_50 |
| PubMedID: 12499539 |
| Gene_locus related to this paper: canru-3lipa |
| Title : Structure of uncomplexed and linoleate-bound Candida cylindracea cholesterol esterase - Ghosh_1995_Structure_3_279 |
| Author(s) : Ghosh D , Wawrzak Z , Pletnev VZ , Li N , Kaiser R , Pangborn W , Jornvall H , Erman M , Duax WL |
| Ref : Structure , 3 :279 , 1995 |
| Abstract : Ghosh_1995_Structure_3_279 |
| ESTHER : Ghosh_1995_Structure_3_279 |
| PubMedSearch : Ghosh_1995_Structure_3_279 |
| PubMedID: 7788294 |
| Gene_locus related to this paper: canru-3lipa |