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CHEBI:83701 - 8-PAHSA(1−)

ChEBI IDCHEBI:83701
ChEBI Name8-PAHSA(1−)
Stars
ASCII Name8-PAHSA(1-)
DefinitionA long-chain fatty acid anion that is the conjugate base of 8-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(CCCCCCCCCC)CCCCCCC(=O)[O-]
InChIInChI=1S/C34H66O4/c1-3-5-7-9-11-13-14-15-16-17-19-21-27-31-34(37)38-32(29-25-22-23-26-30-33(35)36)28-24-20-18-12-10-8-6-4-2/h32H,3-31H2,1-2H3,(H,35,36)/p-1
InChIKeyPXZVHHRFDCMNSG-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)
8-PAHSA(1−) (CHEBI:83701) has role anti-inflammatory agent (CHEBI:67079)
8-PAHSA(1−) (CHEBI:83701) has role human metabolite (CHEBI:77746)
8-PAHSA(1−) (CHEBI:83701) has role hypoglycemic agent (CHEBI:35526)
8-PAHSA(1−) (CHEBI:83701) is a long-chain fatty acid anion (CHEBI:57560)
8-PAHSA(1−) (CHEBI:83701) is conjugate base of 8-PAHSA (CHEBI:84486)
Incoming Relation(s)
8-PAHSA (CHEBI:84486) is conjugate acid of 8-PAHSA(1−) (CHEBI:83701)
IUPAC Name 
8-(hexadecanoyloxy)octadecanoate
Synonyms  Source
palmitoyl-8-hydroxystearate ester(1−)SUBMITTER
8-(palmitoyloxy)octadecanoateIUPAC
8-(palmitoyloxy)stearateChEBI
UniProt Name  Source
hexadecanoyl-8-hydroxyoctadecanoate esterUniProt
Citations