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CHEBI:94065 - (2S)-4-amino-2-[[2-(2,4-dihydroxyphenyl)-1-oxoethyl]amino]-4-oxobutanoic acid

ChEBI IDCHEBI:94065
ChEBI Name(2S)-4-amino-2-[[2-(2,4-dihydroxyphenyl)-1-oxoethyl]amino]-4-oxobutanoic acid
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FormulaC12H14N2O6
Net Charge0
Average Mass282.252
Monoisotopic Mass282.08519
SMILESNC(=O)C[C@H](NC(=O)Cc1ccc(O)cc1O)C(=O)O
InChIInChI=1S/C12H14N2O6/c13-10(17)5-8(12(19)20)14-11(18)3-6-1-2-7(15)4-9(6)16/h1-2,4,8,15-16H,3,5H2,(H2,13,17)(H,14,18)(H,19,20)/t8-/m0/s1
InChIKeyXWUFTPIDMLSXES-QMMMGPOBSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-4-amino-2-[[2-(2,4-dihydroxyphenyl)-1-oxoethyl]amino]-4-oxobutanoic acid (CHEBI:94065) is a asparagine derivative (CHEBI:22654)
Manual XrefsDatabases
LSM-4667LINCS