Structure Database (LMSD)
Common Name
18:3 Cholesterol ester
Systematic Name
cholest-5-en-3β-yl (9Z,12Z,15Z-octadecatrienoate)
Synonyms
- CE(18:3)
3D model of 18:3 Cholesterol ester
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Biological Context
Cholesterol α-linolenate is a cholesterol ester found in fatty streaks and atherosclerotic plaques isolated from human aorta.1
This information has been provided by Cayman Chemical
References
1. Geer, J.C., Panganamala, R.V., and Cornwell, D.G. Position of double bonds in the fatty acids of cholesterol esters from human aorta. Atherosclerosis 12(1), 63-74 (1970).
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Homo sapiens
(#9606)
Mammalia
(#40674)
Lipidomics reveals a remarkable diversity of lipids in human plasma,
J Lipid Res, 2010
J Lipid Res, 2010
Pubmed ID:
20671299
DOI:
10.1194/jlr.M009449
String Representations
InChiKey (Click to copy)
FYMCIBHUFSIWCE-WVXFKAQASA-N
InChi (Click to copy)
InChI=1S/C45H74O2/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/h8-9,11-12,14-15,26,35-36,38-42H,7,10,13,16-25,27-34H2,1-6H3/b9-8-,12-11-,15-14-/t36-,38+,39+,40-,41+,42+,44+,45-/m1/s1
SMILES (Click to copy)
[C@]12(CC=C3C[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@]([H])([C@@](C)([H])CCCC(C)C)CC[C@@]21[H])[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
47
Rings
4
Aromatic Rings
0
Rotatable Bonds
20
Van der Waals Molecular Volume
742.00
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
13.82
Molar Refractivity
202.70
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Updated at
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