CHEBI:83670 - 9-PAHSA(1−)

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ChEBI Name 9-PAHSA(1−)
ChEBI ID CHEBI:83670
ChEBI ASCII Name 9-PAHSA(1-)
Definition 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C34H65O4
Net Charge -1
Average Mass 537.879
Monoisotopic Mass 537.48883
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
SMILES O(C(CCCCCCCCCCCCCCC)=O)C(CCCCCCCCC)CCCCCCCC(=O)[O-]
Roles Classification
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.
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ChEBI Ontology
Outgoing 9-PAHSA(1−) (CHEBI:83670) has role anti-inflammatory agent (CHEBI:67079)
9-PAHSA(1−) (CHEBI:83670) has role human metabolite (CHEBI:77746)
9-PAHSA(1−) (CHEBI:83670) has role hypoglycemic agent (CHEBI:35526)
9-PAHSA(1−) (CHEBI:83670) is a long-chain fatty acid anion (CHEBI:57560)
9-PAHSA(1−) (CHEBI:83670) is conjugate base of 9-PAHSA (CHEBI:84425)
Incoming 9-PAHSA (CHEBI:84425) is conjugate acid of 9-PAHSA(1−) (CHEBI:83670)
IUPAC Name
9-(hexadecanoyloxy)octadecanoate
Synonyms Sources
9-(palmitoyloxy)octadecanoate IUPAC
9-(palmitoyloxy)stearate ChEBI
9-hexadecanoyloxy-octadecanoate UniProt
palmitoyl-9-hydroxystearate ester(1−) SUBMITTER
Citation Waiting for Citations Type Source
25303528 PubMed citation SUBMITTER
Last Modified
08 March 2017