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1-octadecanoyl-2-[(9Z,11Z,13Z,15Z,17Z,19E)-docosahexaenoyl]-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_84830

A phosphatidylcholine 40:6 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (9Z,11Z,13Z,15Z,17Z,19E)-docosahexaenoyl respectively.

Term info

Label

1-octadecanoyl-2-[(9Z,11Z,13Z,15Z,17Z,19E)-docosahexaenoyl]-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-2-[(9Z,11Z,13Z,15Z,17Z,19E)-docosa-9,11,13,15,17,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-2-[(9Z,11Z,13Z,15Z,17Z,19E)-docosa-9,11,13,15,17,19-hexaenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate [ IUPAC ]

charge

0

formula

C48H84NO8P

has obo namespace

chebi_ontology

has related synonym

PC(18:0/22:6(9Z,11Z,13Z,15Z,17Z,19)), PC(18:0/22:6)

id

CHEBI:84830

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/h8,10,12,14,16,18,20,22-25,27,46H,6-7,9,11,13,15,17,19,21,26,28-45H2,1-5H3/b10-8+,14-12-,18-16-,22-20-,24-23-,27-25-/t46-/m1/s1

inchikey

YZEGHVUBSYVNCN-CVCSLSNUSA-N

mass

834.15620

monoisotopicmass

833.59346

smiles

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