compound 0104486

Properties Image MNX_ID MNXM1177041 reference envipathM:...74ab1aa38c3b formula C8H15N2O5 global charge -1 mol weight 219.217 InChIKey WOCZMUFZZUCDEX-UHFFFAOYSA-M InChI InChI=1S/C8H16N2O5/c1-8(15,7(13)14)5(2-3-11)10-6(12)4-9/h5,11,15H,2-4,9H2,1H3,(H,10,12)(H,13,14)/p-1 SMILES CC(O)(C(=O)[O-])C(CCO)/N=C(\O)CN MNX internals InChI (mnx) InChI=1/C8H16N2O5/c1-8(15,7(13)14)5(2-3-11)10-6(12)4-9/h5,11,15H,2-4,9H2,1H3,(H,10,12)(H,13,14)/t5?,8? SMILES (mnx) [CH3:1][C:8]([CH:5]([CH2:2][CH2:3][OH:11])[N:10]=[C:6]([CH2:4][NH2:9])[OH:12])([C:7](=[O:13])[OH:14])[OH:15]

Parent-child relations graph

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