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13-PAHSA(1-)

Go to external page http://purl.obolibrary.org/obo/CHEBI_83678

A long-chain fatty acid anion that is the conjugate base of 13-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3.

Term info

Label

13-PAHSA(1-)

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

3_STAR

IUPAC NAME
13-(hexadecanoyloxy)octadecanoate [ IUPAC ]

charge

-1

formula

C34H65O4

has obo namespace

chebi_ontology

has related synonym

palmitoyl-13-hydroxystearate ester(1-), hexadecanoyl-13-hydroxyoctadecanoate ester, 13-(palmitoyloxy)octadecanoate, 13-(palmitoyloxy)stearate

id

CHEBI:83678

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)/p-1

inchikey

XCOROKUALFOQRK-UHFFFAOYSA-M

mass

537.87800

monoisotopicmass

537.48883

smiles

CCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC([O-])=O