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CHEBI:83678 - 13-PAHSA(1−)

ChEBI IDCHEBI:83678
ChEBI Name13-PAHSA(1−)
Stars
ASCII Name13-PAHSA(1-)
DefinitionA 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.
Last Modified26 January 2015
Submitterlaimo
DownloadsMolfile
FormulaC34H65O4
Net Charge-1
Average Mass537.890
Monoisotopic Mass537.48883
SMILESCCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)[O-]
InChIInChI=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
InChIKeyXCOROKUALFOQRK-UHFFFAOYSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Applications:
hypoglycemic agent  A drug which lowers the blood glucose level.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
13-PAHSA(1−) (CHEBI:83678) has role anti-inflammatory agent (CHEBI:67079)
13-PAHSA(1−) (CHEBI:83678) has role human metabolite (CHEBI:77746)
13-PAHSA(1−) (CHEBI:83678) has role hypoglycemic agent (CHEBI:35526)
13-PAHSA(1−) (CHEBI:83678) is a long-chain fatty acid anion (CHEBI:57560)
13-PAHSA(1−) (CHEBI:83678) is conjugate base of 13-PAHSA (CHEBI:84469)
Incoming Relation(s)
13-PAHSA (CHEBI:84469) is conjugate acid of 13-PAHSA(1−) (CHEBI:83678)
IUPAC Name 
13-(hexadecanoyloxy)octadecanoate
Synonyms  Source
palmitoyl-13-hydroxystearate ester(1−)SUBMITTER
13-(palmitoyloxy)octadecanoateIUPAC
13-(palmitoyloxy)stearateChEBI
UniProt Name  Source
hexadecanoyl-13-hydroxyoctadecanoate esterUniProt
Citations