EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:19733 - (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate

ChEBI IDCHEBI:19733
ChEBI Name(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate
Stars
DefinitionA 4-oxo monocarboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid.
Last Modified24 May 2018
DownloadsMolfile
FormulaC10H13O3
Net Charge-1
Average Mass181.211
Monoisotopic Mass181.08702
SMILESCC1=CC(=O)C(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
InChIKeyUJJNLVMCZZZXFW-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733) has functional parent acetate (CHEBI:30089)
(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733) is a 4-oxo monocarboxylic acid anion (CHEBI:35974)
(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733) is a cyclic ketone (CHEBI:3992)
(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733) is conjugate base of (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid (CHEBI:28045)
Incoming 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)
(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid (CHEBI:28045) is conjugate acid of (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate (CHEBI:19733)
IUPAC Name 
(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetate
Synonym  Source
2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetateUM-BBD
Manual XrefsDatabases
c0410UM-BBD
CPD-866MetaCyc