EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:167758 - 5-amino-3-(4-methoxyphenyl)-5-oxopentanoic acid

ChEBI IDCHEBI:167758
ChEBI Name5-amino-3-(4-methoxyphenyl)-5-oxopentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15NO4
Net Charge0
Average Mass237.255
Monoisotopic Mass237.10011
SMILESCOc1ccc(C(CC(N)=O)CC(=O)O)cc1
InChIInChI=1S/C12H15NO4/c1-17-10-4-2-8(3-5-10)9(6-11(13)14)7-12(15)16/h2-5,9H,6-7H2,1H3,(H2,13,14)(H,15,16)
InChIKeyTWOBZOCYRADJOC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
5-amino-3-(4-methoxyphenyl)-5-oxopentanoic acid (CHEBI:167758) is a benzenes (CHEBI:22712)
5-amino-3-(4-methoxyphenyl)-5-oxopentanoic acid (CHEBI:167758) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
5-amino-3-(4-methoxyphenyl)-5-oxopentanoic acid
Manual XrefsDatabases
2082317ChemSpider