Terminology Service < Semantic Lookup Platform

cholesteryl all-cis-icosa-8,11,14-trienoate

http://purl.obolibrary.org/obo/CHEBI_84346

A cholesterol ester obtained by the formal condensation of cholesterol with all-cis-icosa-8,11,14-trienoic acid.

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Term info

Label

cholesteryl all-cis-icosa-8,11,14-trienoate

Synonyms

(3beta)-cholest-5-en-3-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate

database cross reference

Subsets

3_STAR

IUPAC NAME

(3beta)-cholest-5-en-3-yl (8Z,11Z,14Z)-icosa-8,11,14-trienoate [ IUPAC ]

charge

formula

C47H78O2

has obo namespace

chebi_ontology

has related synonym

CE(20:3(8Z,11Z,14Z)), CE(20:3), cholesteryl (8Z,11Z,14Z)-eicosatrienoate, 20:3 Cholesteryl ester, cholesteryl (8Z,11Z,14Z)-icosa-8,11,14-trienoate

CHEBI:84346

inchi

InChI=1S/C47H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,28,37-38,40-44H,7-10,13,16,19-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1

inchikey

MLPRJPSMAFZPLA-BBFGHUFCSA-N

mass

675.12100

monoisotopicmass

674.60018

smiles

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

Term relations

Subclass of: