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CHEBI:84468 - 12-PAHSA

ChEBI IDCHEBI:84468
ChEBI Name12-PAHSA
Stars
DefinitionA FAHFA obtained by formal condensation of the carboxy group of palmitic acid with the hydroxy group of 12-hydroxystearic acid.
Last Modified23 January 2015
SubmitterSteve
DownloadsMolfile
FormulaC34H66O4
Net Charge0
Average Mass538.898
Monoisotopic Mass538.49611
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)
InChIKeyXXHBLSWAKHZVLN-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)
12-PAHSA (CHEBI:84468) has functional parent hexadecanoic acid (CHEBI:15756)
12-PAHSA (CHEBI:84468) has functional parent octadecanoic acid (CHEBI:28842)
12-PAHSA (CHEBI:84468) has role anti-inflammatory agent (CHEBI:67079)
12-PAHSA (CHEBI:84468) has role human metabolite (CHEBI:77746)
12-PAHSA (CHEBI:84468) has role hypoglycemic agent (CHEBI:35526)
12-PAHSA (CHEBI:84468) is a FAHFA (CHEBI:84426)
12-PAHSA (CHEBI:84468) is a long-chain fatty acid (CHEBI:15904)
12-PAHSA (CHEBI:84468) is conjugate acid of 12-PAHSA(1−) (CHEBI:83677)
Incoming Relation(s)
12-PAHSA(1−) (CHEBI:83677) is conjugate base of 12-PAHSA (CHEBI:84468)
IUPAC Name 
12-(hexadecanoyloxy)octadecanoic acid
Synonyms  Source
12-(palmitoyloxy)octadecanoic acidIUPAC
palmitic acid-12-hydroxystearic acidChEBI
12-(palmitoyloxy)stearic acidChEBI
Citations