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1-octadecanoyl-2-[(2E,4E)-octadecadienoyl]-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_84820

A phosphatidylcholine 36:2 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (2E,4E)-octadecadienoyl respectively.

Term info

Label

1-octadecanoyl-2-[(2E,4E)-octadecadienoyl]-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-2-[(2E,4E)-octadeca-2,4-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-2-[(2E,4E)-octadeca-2,4-dienoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ IUPAC ]

charge

0

formula

C44H84NO8P

has obo namespace

chebi_ontology

has related synonym

PC(18:0/18:2(2E,4E)), PC(18:0/18:2)

id

CHEBI:84820

inchi

InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h31,33,35,37,42H,6-30,32,34,36,38-41H2,1-5H3/b33-31+,37-35+/t42-/m1/s1

inchikey

DTPHOVXVLBUQRC-BIFUJNFHSA-N

mass

786.11340

monoisotopicmass

785.59346

smiles

CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)\C=C\C=C\CCCCCCCCCCCCC