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CHEBI:84469 - 13-PAHSA

ChEBI IDCHEBI:84469
ChEBI Name13-PAHSA
Stars
DefinitionA FAHFA obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 13-hydroxystearic acid.
Last Modified26 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC34H66O4
Net Charge0
Average Mass538.898
Monoisotopic Mass538.49611
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)
InChIKeyXCOROKUALFOQRK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
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 (CHEBI:84469) has functional parent hexadecanoic acid (CHEBI:15756)
13-PAHSA (CHEBI:84469) has functional parent octadecanoic acid (CHEBI:28842)
13-PAHSA (CHEBI:84469) has role anti-inflammatory agent (CHEBI:67079)
13-PAHSA (CHEBI:84469) has role human metabolite (CHEBI:77746)
13-PAHSA (CHEBI:84469) has role hypoglycemic agent (CHEBI:35526)
13-PAHSA (CHEBI:84469) is a FAHFA (CHEBI:84426)
13-PAHSA (CHEBI:84469) is a long-chain fatty acid (CHEBI:15904)
13-PAHSA (CHEBI:84469) is conjugate acid of 13-PAHSA(1−) (CHEBI:83678)
Incoming Relation(s)
13-PAHSA(1−) (CHEBI:83678) is conjugate base of 13-PAHSA (CHEBI:84469)
IUPAC Name 
13-(hexadecanoyloxy)octadecanoic acid
Synonyms  Source
13-(palmitoyloxy)stearic acidChEBI
13-(palmitoyloxy)octadecanoic acidIUPAC
palmitic acid-13-hydroxystearic acidChEBI
Citations