6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline 2,4-dicarboxylate

Chemical Formula:

C₁₄H₁₂N₂O₈

Molecular Weight:

336.257 Daltons

Monoisotopic Mass:

339.0828404687 Daltons

SMILES:

C([O-])(=O)C1(CC(C(=O)[O-])NC2(=C1C=C(CC([N+])C([O-])=O)C(=O)C(=O)2))

InChI:

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

InChIKey:

UMYDVEVERVKIFT-UHFFFAOYSA-L

Synonyms

3a-(2-amino-2-carboxyethyl)-4,5-dioxo-4,5,6,7,8,9-hexahydroquinoline-7,9-dicarboxylate
6-(2-amino-2-carboxylatoethyl)-7-hydroxy-8-oxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylate
6-(2-amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline 2,4-dicarboxylate

Databases

MetaCyc: CPD-7244

PubChem (CID): 45266763

ChEBI: 58778

KEGG: C15599

Seed: cpd16330

MetaNetX: MNXM3877