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CHEBI:88403 - N-Acetylvanilalanine

ChEBI IDCHEBI:88403
ChEBI NameN-Acetylvanilalanine
Stars
DownloadsMolfile
FormulaC12H15NO5
Net Charge0
Average Mass253.254
Monoisotopic Mass253.09502
SMILESCOc1cc(CC(NC(C)=O)C(=O)O)ccc1O
InChIInChI=1S/C12H15NO5/c1-7(14)13-9(12(16)17)5-8-3-4-10(15)11(6-8)18-2/h3-4,6,9,15H,5H2,1-2H3,(H,13,14)(H,16,17)
InChIKeyUKDKTHYZLXZOSS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) urine (BTO:0001419) PubMed (16288991)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-Acetylvanilalanine (CHEBI:88403) is a N-acyl-amino acid (CHEBI:51569)
Synonyms  Source
2-acetamido-3-(4-hydroxy-3-methoxyphenyl)propanoic acidHMDB
N-Acetyl-vanilalanineHMDB
Manual XrefsDatabases
HMDB0011716HMDB
Citations