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CHEBI:187807 - (S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid

ChEBI IDCHEBI:187807
ChEBI Name(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H10N2O3
Net Charge0
Average Mass218.212
Monoisotopic Mass218.06914
SMILESN#CC(NC(=O)CC(=O)O)c1ccccc1
InChIInChI=1S/C11H10N2O3/c12-7-9(8-4-2-1-3-5-8)13-10(14)6-11(15)16/h1-5,9H,6H2,(H,13,14)(H,15,16)
InChIKeyWMOFHAQITVHGSC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid (CHEBI:187807) is a benzenes (CHEBI:22712)
IUPAC Name 
3-[[cyano(phenyl)methyl]amino]-3-oxopropanoic acid
Manual XrefsDatabases
35013795ChemSpider
HMDB0034911HMDB