Terminology Service for NFDI4Health
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1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_84829

A phosphatidylcholine 40:6 in which the acyl groups at positions 1 and 2 are octadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.

Term info

Label

1-octadecanoyl-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-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
  • (2R)-2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy}-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)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-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ IUPAC ]

IUPAC NAME
(2R)-2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy}-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C48H84NO8P

has alternative id

CHEBI:86207

has obo namespace

chebi_ontology

has related synonym

Phosphatidylcholine(18:0/22:6w3), 1-stearoyl-2-docosahexaenoyl-GPC, 1-stearoyl-2-docosahexaenoyl-GPC (18:0/22:6), PC(18:0/22:6n3), Phosphatidylcholine(18:0/22:6n3), 1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine, GPCho(18:0/22:6w3), GPCho(18:0/22:6), Phosphatidylcholine(18:0/22:6), PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)), GPCho(18:0/22:6n3), GPC(18:0/22:6), PC(18:0/22:6)

id

CHEBI:84829

inchi

InChI=1S/C48H84NO8P/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/h8,10,14,16,20,22,24-25,29,31,35,37,46H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-34,36,38-45H2,1-5H3/b10-8-,16-14-,22-20-,25-24-,31-29-,37-35-/t46-/m1/s1

inchikey

FAUYAENFVCNTAL-PFFNLMTBSA-N

mass

834.15620

monoisotopicmass

833.59346

smiles

CCCCCCCCCCCCCCCCCC(=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