EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185726 - CAY10487

ChEBI IDCHEBI:185726
ChEBI NameCAY10487
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H15NO5
Net Charge0
Average Mass265.265
Monoisotopic Mass265.09502
SMILESCOC(=O)C(C)NC(=O)C=Cc1ccc(O)c(O)c1
InChIInChI=1S/C13H15NO5/c1-8(13(18)19-2)14-12(17)6-4-9-3-5-10(15)11(16)7-9/h3-8,15-16H,1-2H3,(H,14,17)
InChIKeyWFBBISJLIGYSGF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
CAY10487 (CHEBI:185726) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
methyl 2-[3-(3,4-dihydroxyphenyl)prop-2-enoylamino]propanoate
Manual XrefsDatabases
26458468ChemSpider