Terminology Service for NFDI4Health
12-PAHSA(1-)
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http://purl.obolibrary.org/obo/CHEBI_83677
A long-chain fatty acid anion that is the conjugate base of 12-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Term info
Label
12-PAHSA(1-)
Synonyms
- 12-(hexadecanoyloxy)octadecanoate
Subsets
3_STAR
charge
-1
formula
C34H65O4
has obo namespace
chebi_ontology
has related synonym
12-(palmitoyloxy)stearate, 12-(palmitoyloxy)octadecanoate, 12-hexadecanoyloxy-octadecanoate, palmitoyl-12-hydroxystearate ester(1-)
id
CHEBI:83677
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)/p-1
inchikey
XXHBLSWAKHZVLN-UHFFFAOYSA-M
mass
537.87800
monoisotopicmass
537.48883
smiles
CCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC([O-])=O
Term relations
Subclass of:
- long-chain fatty acid anion
- has role some anti-inflammatory agent
- is conjugate base of some 12-PAHSA
- has role some hypoglycemic agent
- has role some human metabolite
Related from: