compound 0105692

Properties Image MNX_ID MNXM1176817 reference envipathM:...12cc59ef5074 formula C12H16N2O6 global charge -2 mol weight 284.268 InChIKey ZBPLLLXYTHEYBB-BAQGIRSFSA-L InChI InChI=1S/C12H18N2O6/c1-3-8(10(11(17)18)12(19)20)13-9(16)7-14(4-2)5-6-15/h3,6,10H,4-5,7H2,1-2H3,(H,13,16)(H,17,18)(H,19,20)/p-2/b8-3- SMILES C/C=C(\N=C(/O)CN(CC)CC=O)C(C(=O)[O-])C(=O)[O-] MNX internals InChI (mnx) InChI=1/C12H18N2O6/c1-3-8(10(11(17)18)12(19)20)13-9(16)7-14(4-2)5-6-15/h3,6,10H,4-5,7H2,1-2H3,(H,13,16)(H,17,18)(H,19,20)/b8-3- SMILES (mnx) [CH3:1]/[CH:3]=[C:8]([CH:10]([C:11](=[O:17])[OH:18])[C:12](=[O:19])[OH:20])\[N:13]=[C:9](\[CH2:7][N:14]([CH2:4][CH3:2])[CH2:5][CH:6]=[O:15])[OH:16]

Parent-child relations graph

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