pinellic acid (CHEBI:34506)

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ChEBI Name	pinellic acid

ChEBI ID	CHEBI:34506

Definition	A trihydroxyoctadecenoic acid with hydroxy groups at positions C-9, -12, and 13, and an E (cis) double bond at position 10.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C18H34O5

Net Charge

Average Mass

330.45960

Monoisotopic Mass

330.24062

InChI

InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+/t15-,16-,17-/m0/s1

InChIKey

MDIUMSLCYIJBQC-MVFSOIOZSA-N

SMILES

CCCCC[C@H](O)[C@@H](O)\C=C\[C@@H](O)CCCCCCCC(O)=O

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via TriHOME )

Application(s):	adjuvant Any pharmacological or immunological agent that modifies the effect of other agents such as drugs or vaccines while having few if any direct effects when given by itself. anti-inflammatory agent Any compound that has anti-inflammatory effects.

ChEBI Ontology
Outgoing	pinellic acid (CHEBI:34506) has functional parent 13(S)-HPODE (CHEBI:15655) pinellic acid (CHEBI:34506) has role adjuvant (CHEBI:60809) pinellic acid (CHEBI:34506) has role anti-inflammatory agent (CHEBI:67079) pinellic acid (CHEBI:34506) is a TriHOME (CHEBI:73765)

IUPAC Name

(9S,10E,12S,13S)-9,12,13-trihydroxyoctadec-10-enoic acid

Synonyms	Sources
(10E)-(9S,12S,13S)-9,12,13-Trihydroxyoctadec-10-enoic acid	KEGG COMPOUND
9(S),12(S),13(S)-Trihydroxy-10(E)-octadecenoic acid	KEGG COMPOUND
9,12,13-TriHOME	KEGG COMPOUND
9S,12S,13S-trihydroxy-10E-octadecenoic acid	LIPID MAPS

Last Modified

23 October 2015