Ornithine aspartate

Properties Image MNX_ID MNXM101 reference keggD:D08303 formula C9H19N3O6 global charge 0 mol weight 265.266 InChIKey IXUZXIMQZIMPSQ-ZBRNBAAYSA-N InChI InChI=1S/C5H12N2O2.C4H7NO4/c6-3-1-2-4(7)5(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,6-7H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)/t4-;2-/m00/s1 SMILES NCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C5H12N2O2.C4H7NO4/c6-3-1-2-4(7)5(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,6-7H2,(H,8,9);2H,1,5H2,(H,6,7)(H,8,9)/t4-;2-/m00/s1 SMILES (mnx) [CH2:10]([C@@H:11]([C:13](=[O:17])[OH:18])[NH2:14])[C:12](=[O:15])[OH:16].[CH2:1]([CH2:2][C@@H:4]([C:5](=[O:8])[OH:9])[NH2:7])[CH2:3][NH2:6]

Parent-child relations graph

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