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1-[(9Z)-octadecenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_84814

A phosphatidylcholine 40:7 in which the acyl groups at positions 1 and 2 are specified as (9Z)-octadecenoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.

Term info

Label

1-[(9Z)-octadecenoyl]-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate [ IUPAC ]

charge

0

formula

C48H82NO8P

has obo namespace

chebi_ontology

has related synonym

GPCho(18:1w9/22:6w3), PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), PC(18:1/22:6), 1-(9Z-octadecenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine, Phosphatidylcholine(18:1w9/22:6w3), Phosphatidylcholine(18:1/22:6), 1-oleoyl-2-docosahexaenoyl-GPC, PC(18:1w9/22:6w3), PC(18:1n9/22:6n3), Phosphatidylcholine(18:1n9/22:6n3), 1-oleoyl-2-docosahexaenoyl-GPC (18:1/22:6), GPCho(18:1/22:6), 1-Oleoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine, GPCho(18:1n9/22:6n3), GPC(18:1/22:6)

id

CHEBI:84814

inchi

InChI=1S/C48H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20-22,24-26,29,31,35,37,46H,6-7,9,11-13,15,17-19,23,27-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,26-21-,31-29-,37-35-/t46-/m1/s1

inchikey

FPEVDFOXMCHLKL-KFDYCXSYSA-N

mass

832.14030

monoisotopicmass

831.57781

smiles

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