Terminology Service for NFDI4Health

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

Go to external page http://purl.obolibrary.org/obo/CHEBI_84811


A phosphatidylcholine 34:2 in which the 1- and 2-acyl groups are specified as (9Z)-hexadecenoyl (palmitoleoyl) and (9Z)-octadecenoyl (oleoyl) respectively.

Term info

Label

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

Synonyms
  • (2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ IUPAC ]

charge

0

formula

C42H80NO8P

has obo namespace

chebi_ontology

has related synonym

PC(16:1n7/18:1n9), 1-Palmitoleoyl-2-oleoyl-sn-glycero-3-phosphocholine, GPCho(16:1w7/18:1w9), PC(16:1(9Z)/18:1(9Z)), GPCho(16:1n7/18:1n9), GPCho(34:2), PC(16:1w7/18:1w9), Phosphatidylcholine(16:1w7/18:1w9), Phosphatidylcholine(16:1/18:1), Phosphatidylcholine(16:1n7/18:1n9), GPCho(16:1/18:1), PC(16:1/18:1)

id

CHEBI:84811

inchi

InChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h17,19-21,40H,6-16,18,22-39H2,1-5H3/b19-17-,21-20-/t40-/m1/s1

inchikey

ZRCWDIULNHKQRD-RWGOWQMXSA-N

mass

758.06030

monoisotopicmass

757.56216

smiles

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