Terminology Service for NFDI4Health
JSON

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

Go to external page http://purl.obolibrary.org/obo/CHEBI_86177

A phosphatidylcholine 38:3 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (8Z,11Z,14Z)-eicosatrienoyl respectively.

Term info

Label

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

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

3_STAR

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

charge

0

formula

C46H86NO8P

has obo namespace

chebi_ontology

has related synonym

PC(18:0/20:3w6), Phosphatidylcholine(18:0/20:3n6), Phosphatidylcholine(18:0/20:3w6), Phosphatidylcholine(18:0/20:3), GPCho(18:0/20:3), GPCho(18:0/20:3w6), PC(18:0/20:3), 1-Stearoyl-2-homo-gamma-linolenoyl-sn-glycero-3-phosphocholine, PC(18:0/20:3n6), PC(18:0/20:3(8Z,11Z,14Z)), GPCho(18:0/20:3n6)

id

CHEBI:86177

inchi

InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,44H,6-13,15,17-19,21,23-24,26,28-43H2,1-5H3/b16-14-,22-20-,27-25-/t44-/m1/s1

inchikey

VGSUMLIRUGDCTF-NSMRCOLJSA-N

mass

812.15070

monoisotopicmass

811.60911

smiles

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