CHEBI:68665 - pentalenic acid

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ChEBI Name pentalenic acid
Definition A tricyclic sesquiterpenoid that is pentalenene in which the 13-methyl group is oxidsed to the carboxylic acid and position 1 is substituted by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C15H22O3
Net Charge 0
Average Mass 250.33340
Monoisotopic Mass 250.15689
InChI InChI=1S/C15H22O3/c1-8-4-5-10-9(13(17)18)6-11-12(16)14(2,3)7-15(8,10)11/h6,8,10-12,16H,4-5,7H2,1-3H3,(H,17,18)/t8-,10+,11-,12-,15+/m1/s1
SMILES [H][C@@]12CC[C@@H](C)[C@@]11CC(C)(C)[C@H](O)[C@@]1([H])C=C2C(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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pentalenic acid (CHEBI:68665) has functional parent pentalenene (CHEBI:17251)
pentalenic acid (CHEBI:68665) has role metabolite (CHEBI:25212)
pentalenic acid (CHEBI:68665) is a 5-hydroxy monocarboxylic acid (CHEBI:37125)
pentalenic acid (CHEBI:68665) is a carbotricyclic compound (CHEBI:38032)
pentalenic acid (CHEBI:68665) is a sesquiterpenoid (CHEBI:26658)
pentalenic acid (CHEBI:68665) is conjugate acid of pentalenate (CHEBI:68649)
Incoming pentalenate (CHEBI:68649) is conjugate base of pentalenic acid (CHEBI:68665)
Manual Xref Database
CPDMETA-13643 MetaCyc
View more database links
Registry Number Type Source
5340920 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16681390 PubMed citation Europe PMC
16755041 PubMed citation Europe PMC
21081950 PubMed citation Europe PMC
Last Modified
09 October 2012