CHEBI:34506 - pinellic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 0
Average Mass 330.45960
Monoisotopic Mass 330.241
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.
View more via ChEBI Ontology
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
Manual Xrefs Databases
C14833 KEGG COMPOUND
HMDB0004708 HMDB
LMFA02000014 LIPID MAPS
View more database links
Registry Numbers Types Sources
4317723 Reaxys Registry Number Reaxys
97134-11-7 CAS Registry Number Reaxys
Citations Waiting for Citations Types Sources
12349955 PubMed citation Europe PMC
12617925 PubMed citation Europe PMC
15313433 PubMed citation Europe PMC
20230917 PubMed citation Europe PMC
21744276 PubMed citation Europe PMC
23147809 PubMed citation Europe PMC
Last Modified
23 October 2015