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CHEBI:182017 - 2-[(2E)-2-(2,6-Dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]azaniumyl-4-hydroxy-4-oxobutanoate

ChEBI IDCHEBI:182017
ChEBI Name2-[(2E)-2-(2,6-Dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]azaniumyl-4-hydroxy-4-oxobutanoate
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SubmitterMetaboLights
DownloadsMolfile
FormulaC13H14N2O8
Net Charge0
Average Mass326.261
Monoisotopic Mass326.07502
SMILESO=C(O)CC(/[NH+]=C/C=C1/C=C(C(=O)O)NC(C(=O)O)C1)C(=O)[O-]
InChIInChI=1S/C13H14N2O8/c16-10(17)5-7(11(18)19)14-2-1-6-3-8(12(20)21)15-9(4-6)13(22)23/h1-3,7,9,15H,4-5H2,(H,16,17)(H,18,19)(H,20,21)(H,22,23)/b6-1-,14-2+
InChIKeyYHGOPYILBIAFGW-HSIFCZRMSA-N
ChEBI Ontology
Outgoing Relation(s)
2-[(2E)-2-(2,6-Dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]azaniumyl-4-hydroxy-4-oxobutanoate (CHEBI:182017) is a aspartic acid derivative (CHEBI:22661)
IUPAC Name 
2-[(2E)-2-(2,6-dicarboxy-2,3-dihydro-1H-pyridin-4-ylidene)ethylidene]azaniumyl-4-hydroxy-4-oxobutanoate