Terminology Service for NFDI4Health
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13-PAHSA

Go to external page http://purl.obolibrary.org/obo/CHEBI_84469

A FAHFA obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 13-hydroxystearic acid.

Term info

Label

13-PAHSA

Synonyms
  • 13-(hexadecanoyloxy)octadecanoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
13-(hexadecanoyloxy)octadecanoic acid [ IUPAC ]

charge

0

formula

C34H66O4

has obo namespace

chebi_ontology

has related synonym

13-(palmitoyloxy)stearic acid, 13-(palmitoyloxy)octadecanoic acid, palmitic acid-13-hydroxystearic acid

id

CHEBI:84469

inchi

InChI=1S/C34H66O4/c1-3-5-7-8-9-10-11-12-13-17-20-23-27-31-34(37)38-32(28-24-6-4-2)29-25-21-18-15-14-16-19-22-26-30-33(35)36/h32H,3-31H2,1-2H3,(H,35,36)

inchikey

XCOROKUALFOQRK-UHFFFAOYSA-N

mass

538.88540

monoisotopicmass

538.49611

smiles

CCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(O)=O