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CHEBI:182222 - 2-[3-(Formylamino)-2-hydroxybenzoylamino]-3-hydroxybutanoic acid methyl ester

ChEBI IDCHEBI:182222
ChEBI Name2-[3-(Formylamino)-2-hydroxybenzoylamino]-3-hydroxybutanoic acid methyl ester
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16N2O6
Net Charge0
Average Mass296.279
Monoisotopic Mass296.10084
SMILESCOC(=O)C(NC(=O)c1cccc(NC=O)c1O)C(C)O
InChIInChI=1S/C13H16N2O6/c1-7(17)10(13(20)21-2)15-12(19)8-4-3-5-9(11(8)18)14-6-16/h3-7,10,17-18H,1-2H3,(H,14,16)(H,15,19)
InChIKeyFKDSAXOHMLWBNA-UHFFFAOYSA-N
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-(Formylamino)-2-hydroxybenzoylamino]-3-hydroxybutanoic acid methyl ester (CHEBI:182222) is a amidobenzoic acid (CHEBI:48470)
IUPAC Name 
methyl 2-[(3-ormamido-2-hydroxybenzoyl)amino]-3-hydroxybutanoate
Manual XrefsDatabases
24022622ChemSpider