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1-[(9Z)-octadecenoyl]-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_86130

A phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (6Z,9Z,12Z)-octadecatrienoyl respectively.

Term info

Label

1-[(9Z)-octadecenoyl]-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-2-{[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy}-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-2-{[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy}-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C44H80NO8P

has obo namespace

chebi_ontology

has related synonym

PC(18:1w9/18:3w6), 1-Oleoyl-2-gamma-linolenoyl-sn-glycero-3-phosphocholine, Phosphatidylcholine(18:1n9/18:3n6), PC(18:1(9Z)/18:3(6Z,9Z,12Z)), Phosphatidylcholine(18:1/18:3), Phosphatidylcholine(18:1w9/18:3w6), GPCho(18:1/18:3), PC(18:1/18:3), GPCho(18:1n9/18:3n6), PC(18:1n9/18:3n6), GPCho(18:1w9/18:3w6)

id

CHEBI:86130

inchi

InChI=1S/C44H80NO8P/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/h14,16,20-23,26,28,42H,6-13,15,17-19,24-25,27,29-41H2,1-5H3/b16-14-,22-20-,23-21-,28-26-/t42-/m1/s1

inchikey

NKQPOVROGSWLTO-NVPMBMBWSA-N

mass

782.08170

monoisotopicmass

781.56216

smiles

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