CHEBI:25822 - p-cumate

ChEBI IDCHEBI:25822
ChEBI Namep-cumate
Stars
ASCII Namep-cumate
DefinitionA cumate that is the conjugate base of p-cumic acid.
Last Modified2 September 2014
DownloadsMolfile
FormulaC10H11O2
Net Charge-1
Average Mass163.196
Monoisotopic Mass163.07645
SMILESCC(C)c1ccc(C(=O)[O-])cc1
InChIInChI=1S/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)/p-1
InChIKeyCKMXAIVXVKGGFM-UHFFFAOYSA-M
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
4-(1-methylethyl)benzoateChEBI
p-CumateKEGG COMPOUND
4-isopropylbenzoateChEBI
UniProt Name  Source
p-cumateUniProt
Manual XrefsDatabases
C06578KEGG COMPOUND
c0378UM-BBD
Registry NumbersSources
Reaxys:3904935Reaxys