CHEBI:70796 - 1-deoxy-11β-hydroxypentalenic acid

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ChEBI Name 1-deoxy-11β-hydroxypentalenic acid
ChEBI ASCII Name 1-deoxy-11beta-hydroxypentalenic acid
Definition A tricyclic sesquiterpenoid that is pentalenene in which the 13-methyl group is oxidsed to the carboxylic acid and a hydroxy substituent is located at position 11.
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/c1-8-12(16)5-11-10(13(17)18)4-9-6-14(2,3)7-15(8,9)11/h4,8-9,11-12,16H,5-7H2,1-3H3,(H,17,18)/t8-,9-,11+,12-,15-/m1/s1
SMILES [H][C@@]12CC(C)(C)C[C@@]11[C@H](C)[C@H](O)C[C@@]1([H])C(=C2)C(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.
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ChEBI Ontology
Outgoing 1-deoxy-11β-hydroxypentalenic acid (CHEBI:70796) has functional parent pentalenene (CHEBI:17251)
1-deoxy-11β-hydroxypentalenic acid (CHEBI:70796) has role metabolite (CHEBI:25212)
1-deoxy-11β-hydroxypentalenic acid (CHEBI:70796) is a 5-hydroxy monocarboxylic acid (CHEBI:37125)
1-deoxy-11β-hydroxypentalenic acid (CHEBI:70796) is a carbotricyclic compound (CHEBI:38032)
1-deoxy-11β-hydroxypentalenic acid (CHEBI:70796) is a sesquiterpenoid (CHEBI:26658)
1-deoxy-11β-hydroxypentalenic acid (CHEBI:70796) is conjugate acid of 1-deoxy-11β-hydroxypentalenate (CHEBI:70779)
Incoming 1-deoxy-11β-hydroxypentalenate (CHEBI:70779) is conjugate base of 1-deoxy-11β-hydroxypentalenic acid (CHEBI:70796)
(1S,2R,3aR,5aS,8aR)-2-hydroxy-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid
Manual Xref Database
CPD-13620 MetaCyc
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Citation Waiting for Citations Type Source
16704250 PubMed citation Europe PMC
Last Modified
29 October 2012