Terminology Service for NFDI4Health
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1-octadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_86196

A phosphatidylcholine 40:1 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (13Z)-docosenoyl respectively.

Term info

Label

1-octadecanoyl-2-[(13Z)-docosenoyl]-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-2-{[(13Z)-docos-13-enoyl]oxy}-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-2-{[(13Z)-docos-13-enoyl]oxy}-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C48H94NO8P

has obo namespace

chebi_ontology

has related synonym

1-Stearoyl-2-erucoyl-sn-glycero-3-phosphocholine, Phosphatidylcholine(18:0/22:1w9), PC(18:0/22:1w9), GPCho(18:0/22:1n9), Phosphatidylcholine(18:0/22:1n9), PC(18:0/22:1(13Z)), PC(18:0/22:1n9), GPCho(18:0/22:1w9)

id

CHEBI:86196

inchi

InChI=1S/C48H94NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h20,22,46H,6-19,21,23-45H2,1-5H3/b22-20-/t46-/m1/s1

inchikey

PQUQBWAOWNGATH-USIWBXHFSA-N

mass

844.23560

monoisotopicmass

843.67171

smiles

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