Terminology Service for NFDI4Health
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1-hexadecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine

Go to external page http://purl.obolibrary.org/obo/CHEBI_86168

A phosphatidylcholine 38:0 in which the acyl groups specified at positions 1 and 2 are hexadecanoyl and docosanoyl respectively.

Term info

Label

1-hexadecanoyl-2-docosanoyl-sn-glycero-3-phosphocholine

Synonyms
  • (2R)-2-(docosanoyloxy)-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
database cross reference
Subsets

3_STAR

IUPAC NAME
(2R)-2-(docosanoyloxy)-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate [ IUPAC ]

charge

0

formula

C46H92NO8P

has obo namespace

chebi_ontology

has related synonym

PC(16:0/22:0), 1-Palmitoyl-2-behenoyl-sn-glycero-3-phosphocholine, GPCho(16:0/22:0), Phosphatidylcholine(16:0/22:0)

id

CHEBI:86168

inchi

InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/t44-/m1/s1

inchikey

GHBAFISLPNCOEP-USYZEHPZSA-N

mass

818.19830

monoisotopicmass

817.65606

smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C