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

Properties Image MNX_ID MNXM3877 reference chebi:58778 formula C14H12N2O8 global charge -2 mol weight 336.256 InChIKey UMYDVEVERVKIFT-UHFFFAOYSA-L InChI 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 SMILES [NH3+]C(CC1=CC2=C(NC(C(=O)[O-])CC2C(=O)[O-])C(=O)C1=O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/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)/t6?,7?,8? SMILES (mnx) [CH:1]1=[C:4]([CH2:2][CH:7]([C:13](=[O:21])[OH:22])[NH2:15])[C:10](=[O:17])[C:11](=[O:18])[C:9]2=[C:5]1[CH:6]([C:12](=[O:19])[OH:20])[CH2:3][CH:8]([C:14](=[O:23])[OH:24])[NH:16]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 1