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CHEBI:83676 - 11-PAHSA(1−)

ChEBI IDCHEBI:83676
ChEBI Name11-PAHSA(1−)
Stars
ASCII Name11-PAHSA(1-)
DefinitionA long-chain fatty acid anion that is the conjugate base of 11-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(CCCCCCC)CCCCCCCCCC(=O)[O-]
InChIInChI=1S/C34H66O4/c1-3-5-7-9-10-11-12-13-14-15-19-23-27-31-34(37)38-32(28-24-20-8-6-4-2)29-25-21-17-16-18-22-26-30-33(35)36/h32H,3-31H2,1-2H3,(H,35,36)/p-1
InChIKeySMPUVWFQRGEBKE-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)
11-PAHSA(1−) (CHEBI:83676) has role anti-inflammatory agent (CHEBI:67079)
11-PAHSA(1−) (CHEBI:83676) has role human metabolite (CHEBI:77746)
11-PAHSA(1−) (CHEBI:83676) has role hypoglycemic agent (CHEBI:35526)
11-PAHSA(1−) (CHEBI:83676) is a long-chain fatty acid anion (CHEBI:57560)
11-PAHSA(1−) (CHEBI:83676) is conjugate base of 11-PAHSA (CHEBI:84464)
Incoming Relation(s)
11-PAHSA (CHEBI:84464) is conjugate acid of 11-PAHSA(1−) (CHEBI:83676)
IUPAC Name 
11-(hexadecanoyloxy)octadecanoate
Synonyms  Source
hexadecanoyl-11-hydroxyoctadecanoate esterSUBMITTER
palmitoyl-11-hydroxystearate ester(1−)SUBMITTER
11-(palmitoyloxy)stearateChEBI
11-(palmitoyloxy)octadecanoateIUPAC
Citations