CHEBI:84425 - 9-PAHSA

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ChEBI Name 9-PAHSA
ChEBI ID CHEBI:84425
Definition A FAHFA (fatty acid ester of a hydroxy fatty acid) obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 9-hydroxyoctadecanoic acid (9-hydroxystearic acid).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C34H66O4
Net Charge 0
Average Mass 538.887
Monoisotopic Mass 538.49611
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)
InChIKey MHQWHZLXDBVXML-UHFFFAOYSA-N
SMILES O(C(CCCCCCCCCCCCCCC)=O)C(CCCCCCCCC)CCCCCCCC(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application(s): hypoglycemic agent
A drug which lowers the blood glucose level.
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 9-PAHSA (CHEBI:84425) has functional parent hexadecanoic acid (CHEBI:15756)
9-PAHSA (CHEBI:84425) has functional parent octadecanoic acid (CHEBI:28842)
9-PAHSA (CHEBI:84425) has role anti-inflammatory agent (CHEBI:67079)
9-PAHSA (CHEBI:84425) has role human metabolite (CHEBI:77746)
9-PAHSA (CHEBI:84425) has role hypoglycemic agent (CHEBI:35526)
9-PAHSA (CHEBI:84425) is a FAHFA (CHEBI:84426)
9-PAHSA (CHEBI:84425) is a long-chain fatty acid (CHEBI:15904)
9-PAHSA (CHEBI:84425) is conjugate acid of 9-PAHSA(1−) (CHEBI:83670)
Incoming 9-PAHSA(1−) (CHEBI:83670) is conjugate base of 9-PAHSA (CHEBI:84425)
IUPAC Name
9-(hexadecanoyloxy)octadecanoic acid
Synonyms Sources
9-(palmitoyloxy)octadecanoic acid IUPAC
9-(palmitoyloxy)stearic acid ChEBI
palmitic acid-9-hydroxystearic acid ChEBI
Registry Number Type Source
24107491 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
25303528 PubMed citation Europe PMC
Last Modified
08 March 2017