Terminology Service for NFDI4Health
JSON

1-hexadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_86121

A phosphatidylcholine 36:3 in which the acyl group specified at positions 1 and 2 are hexadecanoyl and (8Z,11Z,14Z)-eicosatrienoyl respectively.

Term info

Label

1-hexadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-3-(hexadecanoyloxy)-2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-3-(hexadecanoyloxy)-2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C44H82NO8P

has obo namespace

chebi_ontology

has related synonym

GPCho(16:0/20:3w6), GPCho(16:0/20:3), PC(16:0/20:3(8Z,11Z,14Z)), Phosphatidylcholine(16:0/20:3w6), PC(16:0/20:3n6), PC(16:0/20:3), 1-Palmitoyl-2-homo-gamma-linolenoyl-sn-glycero-3-phosphocholine, GPCho(16:0/20:3n6), PC(16:0/20:3w6), 1-hexadecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine, Phosphatidylcholine(16:0/20:3n6)

id

CHEBI:86121

inchi

InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h14,16,20-21,23,25,42H,6-13,15,17-19,22,24,26-41H2,1-5H3/b16-14-,21-20-,25-23-/t42-/m1/s1

inchikey

SRIGHEHXEGELQJ-YYQUKWHJSA-N

mass

784.09750

monoisotopicmass

783.57781

smiles

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC