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CHEBI:83677 - 12-PAHSA(1−)

ChEBI IDCHEBI:83677
ChEBI Name12-PAHSA(1−)
Stars
ASCII Name12-PAHSA(1-)
DefinitionA long-chain fatty acid anion that is the conjugate base of 12-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified28 February 2017
Submitterlaimo
DownloadsMolfile
FormulaC34H65O4
Net Charge-1
Average Mass537.890
Monoisotopic Mass537.48883
SMILESCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-]
InChIInChI=1S/C34H66O4/c1-3-5-7-9-10-11-12-13-14-15-20-23-27-31-34(37)38-32(28-24-8-6-4-2)29-25-21-18-16-17-19-22-26-30-33(35)36/h32H,3-31H2,1-2H3,(H,35,36)/p-1
InChIKeyXXHBLSWAKHZVLN-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)
12-PAHSA(1−) (CHEBI:83677) has role anti-inflammatory agent (CHEBI:67079)
12-PAHSA(1−) (CHEBI:83677) has role human metabolite (CHEBI:77746)
12-PAHSA(1−) (CHEBI:83677) has role hypoglycemic agent (CHEBI:35526)
12-PAHSA(1−) (CHEBI:83677) is a long-chain fatty acid anion (CHEBI:57560)
12-PAHSA(1−) (CHEBI:83677) is conjugate base of 12-PAHSA (CHEBI:84468)
Incoming Relation(s)
12-PAHSA (CHEBI:84468) is conjugate acid of 12-PAHSA(1−) (CHEBI:83677)
IUPAC Name 
12-(hexadecanoyloxy)octadecanoate
Synonyms  Source
palmitoyl-12-hydroxystearate ester(1−)SUBMITTER
12-(palmitoyloxy)octadecanoateIUPAC
12-(palmitoyloxy)stearateChEBI
UniProt Name  Source
12-hexadecanoyloxy-octadecanoateUniProt
Citations