Terminology Service for NFDI4Health
9-PAHSA(1-)
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http://purl.obolibrary.org/obo/CHEBI_83670
A long-chain fatty acid anion that is the conjugate base of 9-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Term info
Label
9-PAHSA(1-)
Synonyms
- 9-(hexadecanoyloxy)octadecanoate
Subsets
3_STAR
charge
-1
formula
C34H65O4
has obo namespace
chebi_ontology
has related synonym
9-hexadecanoyloxy-octadecanoate, palmitoyl-9-hydroxystearate ester(1-), 9-(palmitoyloxy)octadecanoate, 9-(palmitoyloxy)stearate
id
CHEBI:83670
inchi
InChI=1S/C34H66O4/c1-3-5-7-9-11-12-13-14-15-16-18-23-27-31-34(37)38-32(28-24-20-17-10-8-6-4-2)29-25-21-19-22-26-30-33(35)36/h32H,3-31H2,1-2H3,(H,35,36)/p-1
inchikey
MHQWHZLXDBVXML-UHFFFAOYSA-M
mass
537.879
monoisotopicmass
537.48883
smiles
O(C(CCCCCCCCCCCCCCC)=O)C(CCCCCCCCC)CCCCCCCC(=O)[O-]
Term relations
Subclass of:
- long-chain fatty acid anion
- has role some anti-inflammatory agent
- is conjugate base of some 9-PAHSA
- has role some hypoglycemic agent
- has role some human metabolite
Related from: