1-deoxy-11beta-hydroxypentalenic acid (CHEBI:70796)

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ChEBI Name	1-deoxy-11β-hydroxypentalenic acid

ChEBI ID	CHEBI:70796

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

Download	Molfile XML SDF

Formula

C15H22O3

Net Charge

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

InChIKey

IZHNAGBQRXWHMT-QLLAZOAUSA-N

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.

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)

IUPAC Name

(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

Citation	Type	Source
16704250	PubMed citation	Europe PMC

Last Modified

29 October 2012