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CHEBI:183451 - 3-methyl-5-oxo-5-(4-toluidino)pentanoic acid

ChEBI IDCHEBI:183451
ChEBI Name3-methyl-5-oxo-5-(4-toluidino)pentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO3
Net Charge0
Average Mass235.283
Monoisotopic Mass235.12084
SMILESCc1ccc(NC(=O)CC(C)CC(=O)O)cc1
InChIInChI=1S/C13H17NO3/c1-9-3-5-11(6-4-9)14-12(15)7-10(2)8-13(16)17/h3-6,10H,7-8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyQQEJGGHVHJKUSE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
ChEBI Ontology
Outgoing Relation(s)
3-methyl-5-oxo-5-(4-toluidino)pentanoic acid (CHEBI:183451) is a anilide (CHEBI:13248)
IUPAC Name 
3-methyl-5-(4-methylanilino)-5-oxopentanoic acid
Manual XrefsDatabases
2014137ChemSpider