EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:193395 - 2-{[(3,4-dihydroxy-5-methoxyphenyl)(hydroxy)methylidene]amino}acetic acid

ChEBI IDCHEBI:193395
ChEBI Name2-{[(3,4-dihydroxy-5-methoxyphenyl)(hydroxy)methylidene]amino}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H11NO6
Net Charge0
Average Mass241.199
Monoisotopic Mass241.05864
SMILESCOc1cc(C(=O)NCC(=O)O)cc(O)c1O
InChIInChI=1S/C10H11NO6/c1-17-7-3-5(2-6(12)9(7)15)10(16)11-4-8(13)14/h2-3,12,15H,4H2,1H3,(H,11,16)(H,13,14)
InChIKeyUKFFJSITCNRUQV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-{[(3,4-dihydroxy-5-methoxyphenyl)(hydroxy)methylidene]amino}acetic acid (CHEBI:193395) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-[(3,4-dihydroxy-5-methoxybenzoyl)amino]acetic acid
Manual XrefsDatabases
74852094ChemSpider