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CHEBI:83672 - 5-PAHSA(1−)

ChEBI IDCHEBI:83672
ChEBI Name5-PAHSA(1−)
Stars
ASCII Name5-PAHSA(1-)
DefinitionA long-chain fatty acid anion that is the conjugate base of 5-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified23 January 2015
Submitterlaimo
DownloadsMolfile
FormulaC34H65O4
Net Charge-1
Average Mass537.890
Monoisotopic Mass537.48883
SMILESCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)[O-]
InChIInChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-31-34(37)38-32(29-27-30-33(35)36)28-25-23-21-19-17-14-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,35,36)/p-1
InChIKeyQBGKCWKQYJQHJX-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)
5-PAHSA(1−) (CHEBI:83672) has role anti-inflammatory agent (CHEBI:67079)
5-PAHSA(1−) (CHEBI:83672) has role human metabolite (CHEBI:77746)
5-PAHSA(1−) (CHEBI:83672) has role hypoglycemic agent (CHEBI:35526)
5-PAHSA(1−) (CHEBI:83672) is a long-chain fatty acid anion (CHEBI:57560)
5-PAHSA(1−) (CHEBI:83672) is conjugate base of 5-PAHSA (CHEBI:84457)
Incoming Relation(s)
5-PAHSA (CHEBI:84457) is conjugate acid of 5-PAHSA(1−) (CHEBI:83672)
IUPAC Name 
5-(hexadecanoyloxy)octadecanoate
Synonyms  Source
palmitoyl-5-hydroxystearate ester(1−)SUBMITTER
5-(palmitoyloxy)octadecanoateIUPAC
5-(palmitoyloxy)stearateChEBI
UniProt Name  Source
hexadecanoyl-5-hydroxyoctadecanoate esterUniProt
Citations