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1-[(9Z)-octadecenoyl]-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_86178

A phosphatidylcholine 38:4 in which the acyl groups specified at positions 1 and 2 are (9Z)-octadecenoyl and (5Z,8Z,11Z)-eicosatrienoyl respectively.

Term info

Label

1-[(9Z)-octadecenoyl]-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-2-{[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy}-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-2-{[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy}-3-{[(9Z)-octadec-9-enoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C46H84NO8P

has obo namespace

chebi_ontology

has related synonym

GPCho(18:1n9/20:3n9), 1-Oleoyl-2-meadoyl-sn-glycero-3-phosphocholine, GPCho(18:1w9/20:3w9), Phosphatidylcholine(18:1n9/20:3n9), PC(18:1(9Z)/20:3(5Z,8Z,11Z)), PC(18:1n9/20:3n9), GPCho(18:1/20:3)

id

CHEBI:86178

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/h20-22,24-25,27,31,33,44H,6-19,23,26,28-30,32,34-43H2,1-5H3/b22-20-,24-21-,27-25-,33-31-/t44-/m1/s1

inchikey

APIPSPZJMLSCBO-NRTPYZNRSA-N

mass

810.13480

monoisotopicmass

809.59346

smiles

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