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CHEBI:64815 - [(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate

ChEBI IDCHEBI:64815
ChEBI Name[(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate
Stars
ASCII Name[(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate
DefinitionA 4-oxo monocarboxylic acid anion that is the conjugate base of [(R)-2,2,3-trimethyl-5-oxocyclopent-3-enyl]acetic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
Last Modified25 May 2022
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC10H13O3
Net Charge-1
Average Mass181.211
Monoisotopic Mass181.08702
SMILESCC1=CC(=O)[C@H](CC(=O)[O-])C1(C)C
InChIInChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)/p-1/t7-/m0/s1
InChIKeyUJJNLVMCZZZXFW-ZETCQYMHSA-M
ChEBI Ontology
Outgoing Relation(s)
[(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate (CHEBI:64815) is a (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733)
[(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate (CHEBI:64815) is conjugate base of [(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid (CHEBI:64817)
Incoming Relation(s)
[(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid (CHEBI:64817) is conjugate acid of [(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate (CHEBI:64815)
IUPAC Name 
[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetate
Synonyms  Source
2-[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetateIUPAC
[(1R)-4,5,5-trimethyl-2-oxocyclopent-3-enyl]acetateMetaCyc
2-oxo-Δ3-4,5,5-trimethylcyclopentenylacetateMetaCyc
UniProt Name  Source
[(1R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetateUniProt
Manual XrefsDatabases
CPD-866MetaCyc
Citations