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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2S)-4-amino-2-[[2-(2,4-dihydroxyphenyl)-1-oxoethyl]amino]-4-oxobutanoic acid
ChEBI ID CHEBI:94065
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C12H14N2O6
Net Charge 0
Average Mass 282.250
Monoisotopic Mass 282.08519
InChI InChI=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
InChIKey XWUFTPIDMLSXES-QMMMGPOBSA-N
SMILES C1=CC(=C(C=C1O)O)CC(=O)N[C@@H](CC(=O)N)C(=O)O
ChEBI Ontology
Outgoing (2S)-4-amino-2-[[2-(2,4-dihydroxyphenyl)-1-oxoethyl]amino]-4-oxobutanoic acid (CHEBI:94065) is a asparagine derivative (CHEBI:22654)
Manual Xref Database
LSM-4667 LINCS
View more database links