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12-PAHSA

Go to external page http://purl.obolibrary.org/obo/CHEBI_84468

A FAHFA obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 12-hydroxystearic acid.

Term info

Label

12-PAHSA

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

3_STAR

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

charge

0

formula

C34H66O4

has obo namespace

chebi_ontology

has related synonym

12-(palmitoyloxy)octadecanoic acid, 12-(palmitoyloxy)stearic acid, palmitic acid-12-hydroxystearic acid

id

CHEBI:84468

inchi

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

inchikey

XXHBLSWAKHZVLN-UHFFFAOYSA-N

mass

538.88540

monoisotopicmass

538.49611

smiles

CCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(O)=O