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Chemical structure of Cholesteryl Eicosapentaenoate

GC43257

Cholesteryl Eicosapentaenoate

Also known as [(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] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate

Cholesteryl Eicosapentaenoate is an endogenous metabolite

ChemicalCAS74892-97-0MW671.1FormulaC47H74O2
CAS number
74892-97-0
Molecular weight
671.1
Formula
C47H74O2
Solubility
Chloroform： 10 mg/ml
InChIKey
XZFUGMCJZFRBKF-BDJFIEMMSA-N
Catalogue number
GC43257
Brand
GLPBIO
Computed properties PubChem CID 10372299 · XLogP 14.9 · TPSA 26.3 Ų · H-bond donors 0
XLogP
14.9
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
20
Heavy atoms
49

SMILES CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C

Computed descriptors from PubChem (CID 10372299), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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