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1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_86127

A phosphatidylcholine 36:4 in which the acyl groups specified at positions 1 and 2 are (9Z,12Z,15Z)-octadecatrienoyl and (9Z)-octadecenoyl respectively.

Term info

Label

1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-[(9Z)-octadecenoyl]-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-3-{[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-3-{[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy}-2-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C44H80NO8P

has obo namespace

chebi_ontology

has related synonym

PC(18:3(9Z,12Z,15Z)/18:1(9Z)), GPCho(18:3w3/18:1w9), Phosphatidylcholine(18:3n3/18:1n9), PC(18:3n3/18:1n9), PC(18:3/18:1), PC(18:3w3/18:1w9), 1-alpha-Linolenoyl-2-oleoyl-sn-glycero-3-phosphocholine, Phosphatidylcholine(18:3w3/18:1w9), GPCho(18:3n3/18:1n9), Phosphatidylcholine(18:3/18:1), GPCho(18:3/18:1)

id

CHEBI:86127

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/h8,10,14,16,20-23,42H,6-7,9,11-13,15,17-19,24-41H2,1-5H3/b10-8-,16-14-,22-20-,23-21-/t42-/m1/s1

inchikey

LPDGUCIMNBNWEJ-BXZVQSHESA-N

mass

782.08170

monoisotopicmass

781.56216

smiles

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