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1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_86190

A phosphatidylcholine 40:1 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and docosanoyl respectively.

Term info

Label

1-[(9Z)-octadecenoyl]-2-docosanoyl-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-2-(docosanoyloxy)-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-2-(docosanoyloxy)-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C48H94NO8P

has obo namespace

chebi_ontology

has related synonym

Phosphatidylcholine(18:1w9/22:0), GPCho(18:1w9/22:0), GPCho(18:1n9/22:0), 1-Oleoyl-2-behenoyl-sn-glycero-3-phosphocholine, PC(18:1n9/22:0), Phosphatidylcholine(18:1n9/22:0), PC(18:1w9/22:0), PC(18:1(9Z)/22:0)

id

CHEBI:86190

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/h21,26,46H,6-20,22-25,27-45H2,1-5H3/b26-21-/t46-/m1/s1

inchikey

VKFMYKGEBZVPJU-MLLRONJJSA-N

mass

844.23560

monoisotopicmass

843.67171

smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C