Terminology Service for NFDI4Health
JSON

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

Go to external page http://purl.obolibrary.org/obo/CHEBI_84831

A phosphatidylcholine 36:3 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (6Z,9Z)-octadecadienoyl respectively.

Term info

Label

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

Synonyms
  • (2R)-2-[(6Z,9Z)-octadeca-6,9-dienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-2-[(6Z,9Z)-octadeca-6,9-dienoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ IUPAC ]

charge

0

formula

C44H82NO8P

has obo namespace

chebi_ontology

has related synonym

PC(18:1/18:2), PC(18:1(9Z)/18:2(6Z,9Z))

id

CHEBI:84831

inchi

InChI=1S/C44H82NO8P/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/h20-23,27,29,42H,6-19,24-26,28,30-41H2,1-5H3/b22-20-,23-21-,29-27-/t42-/m1/s1

inchikey

BXRLDROZWDUSGM-ZRYFCQOPSA-N

mass

784.09750

monoisotopicmass

783.57781

smiles

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