EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:197549 - alpha-(acetylamino)-4-(3-methyl-2-butenyloxy)benzenepropanoic acid

ChEBI IDCHEBI:197549
ChEBI Namealpha-(acetylamino)-4-(3-methyl-2-butenyloxy)benzenepropanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H21NO4
Net Charge0
Average Mass291.347
Monoisotopic Mass291.14706
SMILESCC(=O)N[C@@H](Cc1ccc(OCC=C(C)C)cc1)C(=O)O
InChIInChI=1S/C16H21NO4/c1-11(2)8-9-21-14-6-4-13(5-7-14)10-15(16(19)20)17-12(3)18/h4-8,15H,9-10H2,1-3H3,(H,17,18)(H,19,20)/t15-/m0/s1
InChIKeyYHKFAYFIUKFOFG-HNNXBMFYSA-N
Species of MetaboliteComponentSourceComments
Pithomycesspecies (ncbitaxon:2032998) - PubMed (12932132)
ChEBI Ontology
Outgoing Relation(s)
alpha-(acetylamino)-4-(3-methyl-2-butenyloxy)benzenepropanoic acid (CHEBI:197549) is a phenylalanine derivative (CHEBI:25985)
IUPAC Name 
2-acetamido-3-[4-(3-methylbut-2-enoxy)phenyl]propanoic acid
Manual XrefsDatabases
8577465ChemSpider