CHEBI:83678 - 13-PAHSA(1−)

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ChEBI Name 13-PAHSA(1−)
ChEBI ID CHEBI:83678
ChEBI ASCII Name 13-PAHSA(1-)
Definition A long-chain fatty acid anion that is the conjugate base of 13-PAHSA, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C34H65O4
Net Charge -1
Average Mass 537.87800
Monoisotopic Mass 537.48883
InChI InChI=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)/p-1
InChIKey XCOROKUALFOQRK-UHFFFAOYSA-M
SMILES CCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC([O-])=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application(s): anti-inflammatory agent
Any compound that has anti-inflammatory effects.
hypoglycemic agent
A drug which lowers the blood glucose level.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 13-PAHSA(1−) (CHEBI:83678) has role anti-inflammatory agent (CHEBI:67079)
13-PAHSA(1−) (CHEBI:83678) has role human metabolite (CHEBI:77746)
13-PAHSA(1−) (CHEBI:83678) has role hypoglycemic agent (CHEBI:35526)
13-PAHSA(1−) (CHEBI:83678) is a long-chain fatty acid anion (CHEBI:57560)
13-PAHSA(1−) (CHEBI:83678) is conjugate base of 13-PAHSA (CHEBI:84469)
Incoming 13-PAHSA (CHEBI:84469) is conjugate acid of 13-PAHSA(1−) (CHEBI:83678)
IUPAC Name
13-(hexadecanoyloxy)octadecanoate
Synonyms Sources
13-(palmitoyloxy)octadecanoate IUPAC
13-(palmitoyloxy)stearate ChEBI
hexadecanoyl-13-hydroxyoctadecanoate ester UniProt
palmitoyl-13-hydroxystearate ester(1−) SUBMITTER
Citation
Yore MM, Syed I, Moraes-Vieira PM, Zhang T, Herman MA, Homan EA, Patel RT, Lee J, Chen S, Peroni OD, Dhaneshwar AS, Hammarstedt A, Smith U, McGraw TE, Saghatelian A, Kahn BB (2014)
Discovery of a class of endogenous mammalian lipids with anti-diabetic and anti-inflammatory effects.
Cell 159, 318-332 (Source: SUBMITTER) [PubMed:25303528]
[show Abstract]
Last Modified
26 January 2015