compound 0110174

Properties Image MNX_ID MNXM1138269 reference envipathM:...1bbc15926646 formula C9H16N2O5 global charge 0 mol weight 232.236 InChIKey YGAHRKFWQGTMGK-UHFFFAOYSA-N InChI InChI=1S/C9H16N2O5/c1-3-7(13)10-8(14)6-11(4-5-12)9(2,15)16/h5,15-16H,3-4,6H2,1-2H3,(H,10,13,14) SMILES CCC(=O)/N=C(\O)CN(CC=O)C(C)(O)O MNX internals InChI (mnx) InChI=1/C9H16N2O5/c1-3-7(13)10-8(14)6-11(4-5-12)9(2,15)16/h5,15-16H,3-4,6H2,1-2H3,(H,10,13,14) SMILES (mnx) [CH3:1][CH2:3][C:7](=[N:10][C:8]([CH2:6][N:11]([CH2:4][CH:5]=[O:12])[C:9]([CH3:2])([OH:15])[OH:16])=[O:14])[OH:13]

Parent-child relations graph

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