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CHEBI:191186 - beta-alanine, n-[2-[(3-hexylphenyl)amino]-2-oxoethyl]-

ChEBI IDCHEBI:191186
ChEBI Namebeta-alanine, n-[2-[(3-hexylphenyl)amino]-2-oxoethyl]-
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H26N2O3
Net Charge0
Average Mass306.406
Monoisotopic Mass306.19434
SMILESCCCCCCc1cccc(/N=C(\O)CNCCC(=O)O)c1
InChIInChI=1S/C17H26N2O3/c1-2-3-4-5-7-14-8-6-9-15(12-14)19-16(20)13-18-11-10-17(21)22/h6,8-9,12,18H,2-5,7,10-11,13H2,1H3,(H,19,20)(H,21,22)
InChIKeyJXZQHAWCGSVWRW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
beta-alanine, n-[2-[(3-hexylphenyl)amino]-2-oxoethyl]- (CHEBI:191186) is a amino acid amide (CHEBI:22475)
IUPAC Name 
3-[[2-(3-hexylanilino)-2-oxoethyl]amino]propanoic acid
Manual XrefsDatabases
48063575ChemSpider