EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189895 - 2-Pentanamido-3-phenylpropanoic acid

ChEBI IDCHEBI:189895
ChEBI Name2-Pentanamido-3-phenylpropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H19NO3
Net Charge0
Average Mass249.310
Monoisotopic Mass249.13649
SMILESCCCCC(=O)NC(Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H19NO3/c1-2-3-9-13(16)15-12(14(17)18)10-11-7-5-4-6-8-11/h4-8,12H,2-3,9-10H2,1H3,(H,15,16)(H,17,18)
InChIKeyYXQLJEQFZUMUPB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
2-Pentanamido-3-phenylpropanoic acid (CHEBI:189895) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
2-(pentanoylamino)-3-phenylpropanoic acid
Manual XrefsDatabases
14753835ChemSpider
HMDB0094646HMDB