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11-PAHSA(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_83676

A long-chain fatty acid anion that is the conjugate base of 11-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Term info

Label

11-PAHSA(1-)

Synonyms
  • 11-(hexadecanoyloxy)octadecanoate
database cross reference
Subsets

3_STAR

IUPAC NAME
11-(hexadecanoyloxy)octadecanoate [ IUPAC ]

charge

-1

formula

C34H65O4

has obo namespace

chebi_ontology

has related synonym

hexadecanoyl-11-hydroxyoctadecanoate ester, 11-(palmitoyloxy)octadecanoate, palmitoyl-11-hydroxystearate ester(1-), 11-(palmitoyloxy)stearate

id

CHEBI:83676

inchi

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

inchikey

SMPUVWFQRGEBKE-UHFFFAOYSA-M

mass

537.87800

monoisotopicmass

537.48883

smiles

CCCCCCCCCCCCCCCC(=O)OC(CCCCCCC)CCCCCCCCCC([O-])=O