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CHEBI:189769 - 2-{[(2H-1,3-benzodioxol-5-yl)(hydroxy)methylidene]amino}acetic acid

ChEBI IDCHEBI:189769
ChEBI Name2-{[(2H-1,3-benzodioxol-5-yl)(hydroxy)methylidene]amino}acetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC10H9NO5
Net Charge0
Average Mass223.184
Monoisotopic Mass223.04807
SMILESO=C(O)CNC(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C10H9NO5/c12-9(13)4-11-10(14)6-1-2-7-8(3-6)16-5-15-7/h1-3H,4-5H2,(H,11,14)(H,12,13)
InChIKeyFWHKWFNOFSQUIU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sarcophaga peregrina (ncbitaxon:7386) Whole Organism (NCIT:C13413) MetaboLights (MTBLS4102)
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-{[(2H-1,3-benzodioxol-5-yl)(hydroxy)methylidene]amino}acetic acid (CHEBI:189769) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
2-(1,3-benzodioxole-5-carbonylamino)acetic acid
Manual XrefsDatabases
HMDB0129380HMDB
1742100ChemSpider
Registry NumbersSources
CAS:27855-25-0ChemIDplus