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1-hexadecyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_86427

A phosphatidylcholine O-34:3 in which the alkyl and acyl groups specified at positions 1 and 2 are hexadecyl and (6Z,9Z,12Z)-octadecatrienoyl respectively.

Term info

Label

1-hexadecyl-2-[(6Z,9Z,12Z)-octadecatrienoyl]-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-3-(hexadecyloxy)-2-{[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-3-(hexadecyloxy)-2-{[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C42H80NO7P

has obo namespace

chebi_ontology

has related synonym

PC(O-16:0/18:3(6Z,9Z,12Z))

id

CHEBI:86427

inchi

InChI=1S/C42H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-42(44)50-41(40-49-51(45,46)48-38-36-43(3,4)5)39-47-37-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,41H,6-13,15,17-19,21,23-24,26,28-40H2,1-5H3/b16-14-,22-20-,27-25-/t41-/m1/s1

inchikey

QEWRXEALGMKRGP-MZWPLUPDSA-N

mass

742.06090

monoisotopicmass

741.56724

smiles

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