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CHEBI:58778 - 6-(2-azaniumyl-2-carboxylatoethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate

Default Structure
ChEBI IDCHEBI:58778
ChEBI Name6-(2-azaniumyl-2-carboxylatoethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate
Stars
DefinitionDicarboxylate anion of 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid.
Last Modified13 November 2017
DownloadsMolfile
FormulaC14H12N2O8
Net Charge-2
Average Mass336.256
Monoisotopic Mass336.06046
SMILES[NH3+]C(CC1=CC2=C(NC(C(=O)[O-])CC2C(=O)[O-])C(=O)C1=O)C(=O)[O-]
InChIInChI=1S/C14H14N2O8/c15-7(13(21)22)2-4-1-5-6(12(19)20)3-8(14(23)24)16-9(5)11(18)10(4)17/h1,6-8,16H,2-3,15H2,(H,19,20)(H,21,22)(H,23,24)/p-2
InChIKeyUMYDVEVERVKIFT-UHFFFAOYSA-L
ChEBI Ontology
Outgoing Relation(s)
6-(2-azaniumyl-2-carboxylatoethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate (CHEBI:58778) is a tricarboxylic acid dianion (CHEBI:36300)
6-(2-azaniumyl-2-carboxylatoethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate (CHEBI:58778) is conjugate base of 6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid (CHEBI:49081)
Incoming Relation(s)
6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid (CHEBI:49081) is conjugate acid of 6-(2-azaniumyl-2-carboxylatoethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate (CHEBI:58778)
IUPAC Name 
6-(2-azaniumyl-2-carboxylatoethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate
UniProt Name  Source
6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylateUniProt