CHEBI:28045 - (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid

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ChEBI Name (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid
ChEBI ID CHEBI:28045
Definition A 4-oxo monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:37436, CHEBI:1244
Supplier Information
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Formula C10H14O3
Net Charge 0
Average Mass 182.21640
Monoisotopic Mass 182.09429
InChI InChI=1S/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)
InChIKey UJJNLVMCZZZXFW-UHFFFAOYSA-N
SMILES CC1=CC(=O)C(CC(O)=O)C1(C)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid (CHEBI:28045) has functional parent acetic acid (CHEBI:15366)
(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid (CHEBI:28045) is a 4-oxo monocarboxylic acid (CHEBI:35950)
(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid (CHEBI:28045) is a cyclic ketone (CHEBI:3992)
(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)
Incoming (2,3,3-trimethyl-5-oxocyclopent-3-enyl)acetyl-CoA (CHEBI:27866) has functional parent (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid (CHEBI:28045)
[(R)-2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl]acetic acid (CHEBI:64817) is a (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid (CHEBI:28045)
(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)
IUPAC Name
(2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid
Synonyms Sources
2-Oxo-delta(3)-4,5,5-trimethylcyclopentenylacetic acid ChemIDplus
2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetic acid KEGG COMPOUND
Otmcpa ChemIDplus
Manual Xref Database
C07159 KEGG COMPOUND
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Registry Numbers Types Sources
1130-49-0 CAS Registry Number KEGG COMPOUND
1130-49-0 CAS Registry Number ChemIDplus
3263762 Beilstein Registry Number Beilstein
3263762 Reaxys Registry Number Reaxys
Last Modified
07 June 2012