Terminology Service for NFDI4Health
JSON

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

Go to external page http://purl.obolibrary.org/obo/CHEBI_89618

A phosphatidylcholine 38:4 in which the acyl groups at positions 1 and 2 are specified as oleoyl and (8Z,11Z,14Z)-icosatrienoyl respectively.

Term info

Label

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

Synonyms
  • (2R)-2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy}-3-{[(9Z)-octadec-9-enoyl]oxy}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-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C46H84NO8P

has alternative id

CHEBI:133666

has obo namespace

chebi_ontology

has related synonym

1-oleoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine, 1-oleoyl-2-dihomolinolenoyl-GPC, 1-(9Z-octadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphocholine, GPC(18:1/20:3), 1-oleoyl-2-dihomolinolenoyl-GPC (18:1/20:3), 1-[(9Z)-octadecenoyl]-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine, 1-[(9Z)-octadecenoyl]-2-[(8Z,11Z,14Z)-icosatrienoyl]-sn-glycero-3-phosphocholine

id

CHEBI:89618

inchi

InChI=1S/C46H84NO8P/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/h14,16,20-22,24-25,27,44H,6-13,15,17-19,23,26,28-43H2,1-5H3/b16-14-,22-20-,24-21-,27-25-/t44-/m1/s1

inchikey

HLJHXSCXSDXLNW-OHDHZNPQSA-N

mass

810.137

monoisotopicmass

809.59346

smiles

P(OC[C@@H](COC(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)(=O)(OCC[N+](C)(C)C)[O-]