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CHEBI:64899 - [(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid

ChEBI IDCHEBI:64899
ChEBI Name[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid
Stars
ASCII Name[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid
DefinitionA 5-hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxy-2,2,3-trimethylcyclopent-3-enyl group (the S-enantiomer).
Last Modified14 June 2012
SubmitterSteve
DownloadsMolfile
FormulaC10H16O3
Net Charge0
Average Mass184.235
Monoisotopic Mass184.10994
SMILESCC1=C(O)C[C@@H](CC(=O)O)C1(C)C
InChIInChI=1S/C10H16O3/c1-6-8(11)4-7(5-9(12)13)10(6,2)3/h7,11H,4-5H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKeyURJCZGFYOSRITQ-ZETCQYMHSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid (CHEBI:64899) has functional parent acetic acid (CHEBI:15366)
[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid (CHEBI:64899) is a 5-hydroxy monocarboxylic acid (CHEBI:37125)
[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid (CHEBI:64899) is a enol (CHEBI:33823)
[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid (CHEBI:64899) is conjugate acid of [(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetate (CHEBI:64894)
Incoming Relation(s)
[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetate (CHEBI:64894) is conjugate base of [(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-enyl]acetic acid (CHEBI:64899)
IUPAC Name 
[(1S)-4-hydroxy-2,2,3-trimethylcyclopent-3-en-1-yl]acetic acid
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CPD-14305MetaCyc
Citations