CHEBI:25822 - p-cumate

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ChEBI Name p-cumate
ChEBI ID CHEBI:25822
ChEBI ASCII Name p-cumate
Definition A cumate that is the conjugate base of p-cumic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H11O2
Net Charge -1
Average Mass 163.19314
Monoisotopic Mass 163.07645
InChI InChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)/p-1
InChIKey CKMXAIVXVKGGFM-UHFFFAOYSA-M
SMILES CC(C)c1ccc(cc1)C([O-])=O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing p-cumate (CHEBI:25822) has role plant metabolite (CHEBI:76924)
p-cumate (CHEBI:25822) is a cumate (CHEBI:23410)
p-cumate (CHEBI:25822) is conjugate base of p-cumic acid (CHEBI:28122)
Incoming 2,3-dihydroxy-p-cumate (CHEBI:36647) has functional parent p-cumate (CHEBI:25822)
p-cumic acid (CHEBI:28122) is conjugate acid of p-cumate (CHEBI:25822)
IUPAC Name
4-(propan-2-yl)benzoate
Synonyms Sources
4-(1-methylethyl)benzoate ChEBI
4-isopropylbenzoate ChEBI
p-Cumate KEGG COMPOUND
p-cumate UniProt
Manual Xrefs Databases
c0378 UM-BBD
C06578 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
3904935 Reaxys Registry Number Reaxys
3904935 Beilstein Registry Number Beilstein
Last Modified
02 September 2014