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CHEBI:28045 - (2,2,3-trimethyl-5-oxocyclopent-3-en-1-yl)acetic acid
| Formula | C10H14O3 |
| Net Charge | 0 |
| Average Mass | 182.219 |
| Monoisotopic Mass | 182.09429 |
| SMILES | CC1=CC(=O)C(CC(=O)O)C1(C)C |
| 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 |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (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 Relation(s) |
| (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 | Source |
|---|---|
| 2-Oxo-delta(3)-4,5,5-trimethylcyclopentenylacetic acid | ChemIDplus |
| 2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetic acid | KEGG COMPOUND |
| Otmcpa | ChemIDplus |
| Citations |
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