compound 0106225

Properties Image MNX_ID MNXM1170702 reference envipathM:...03ef391a880e formula C11H16N2O8 global charge -2 mol weight 304.255 InChIKey GWWVJSSVPKZHPX-UHFFFAOYSA-L InChI InChI=1S/C11H18N2O8/c1-6(9(18)10(19)20)11(21,2-3-14)13-7(15)4-12-5-8(16)17/h6,12,14,21H,2-5H2,1H3,(H,13,15)(H,16,17)(H,19,20)/p-2 SMILES CC(C(=O)C(=O)[O-])C(O)(CCO)/N=C(\O)CNCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C11H18N2O8/c1-6(9(18)10(19)20)11(21,2-3-14)13-7(15)4-12-5-8(16)17/h6,12,14,21H,2-5H2,1H3,(H,13,15)(H,16,17)(H,19,20)/t6?,11? SMILES (mnx) [CH3:1][CH:6]([C:9]([C:10]([OH:19])=[O:20])=[O:18])[C:11]([CH2:2][CH2:3][OH:14])([N:13]=[C:7]([CH2:4][NH:12][CH2:5][C:8](=[O:16])[OH:17])[OH:15])[OH:21]

Parent-child relations graph

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