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cholesteryl (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate

Go to external page http://purl.obolibrary.org/obo/CHEBI_73910

A cholesterol ester with the acyl group as (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenyl.

Term info

Label

cholesteryl (7Z,10Z,13Z,16Z,19Z)-docosapentaenoate

Synonyms
  • (3beta)-cholest-5-en-3-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate
database cross reference
Subsets

3_STAR

IUPAC NAME
(3beta)-cholest-5-en-3-yl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate [ IUPAC ]

charge

0

formula

C49H78O2

has alternative id

CHEBI:84364

has obo namespace

chebi_ontology

has related synonym

CE 22:5(7Z,10Z,13Z,16Z,19Z), cholesteryl ester(22:5(7Z,10Z,13Z,16Z,19Z)), cholest-5-en-3beta-yl (7Z,10Z,13Z,16Z,19Z-docosapentaenoate), Cholesterol 1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoate), Cholesteryl 1-(7Z,10Z,13Z,16Z,19Z-docosapentaenoate), 22:5(7Z,10Z,13Z,16Z,19Z) Cholesterol ester, CE(22:5(7Z,10Z,13Z,16Z,19Z))

id

CHEBI:73910

inchi

InChI=1S/C49H78O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h8-9,11-12,14-15,17-18,20-21,30,39-40,42-46H,7,10,13,16,19,22-29,31-38H2,1-6H3/b9-8-,12-11-,15-14-,18-17-,21-20-/t40-,42+,43+,44-,45+,46+,48+,49-/m1/s1

inchikey

XOLZNHXNFMEUGA-DCDLNIKOSA-N

mass

699.14240

monoisotopicmass

698.60018

smiles

CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=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