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CHEBI:70779 - 1-deoxy-11β-hydroxypentalenate

ChEBI IDCHEBI:70779
ChEBI Name1-deoxy-11β-hydroxypentalenate
Stars
ASCII Name1-deoxy-11beta-hydroxypentalenate
DefinitionA hydroxy monocarboxylic acid anion that is the conjugate base of 1-deoxy-11β-hydroxypentalenic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified29 October 2012
SubmitterKAX
DownloadsMolfile
FormulaC15H21O3
Net Charge-1
Average Mass249.330
Monoisotopic Mass249.14962
SMILES[H][C@@]12C[C@@H](O)[C@@H](C)[C@@]13CC(C)(C)C[C@@]3([H])C=C2C(=O)[O-]
InChIInChI=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)/p-1/t8-,9-,11+,12-,15-/m1/s1
InChIKeyIZHNAGBQRXWHMT-QLLAZOAUSA-M
ChEBI Ontology
Outgoing Relation(s)
1-deoxy-11β-hydroxypentalenate (CHEBI:70779) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
1-deoxy-11β-hydroxypentalenate (CHEBI:70779) is conjugate base of 1-deoxy-11β-hydroxypentalenic acid (CHEBI:70796)
Incoming Relation(s)
1-deoxy-11β-hydroxypentalenic acid (CHEBI:70796) is conjugate acid of 1-deoxy-11β-hydroxypentalenate (CHEBI:70779)
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-carboxylate
UniProt Name  Source
1-deoxy-11β-hydroxypentalenateUniProt
Manual XrefsDatabases
CPD-13620MetaCyc
Citations