N-Acetyl-DL-aspartic acid

Properties Image MNX_ID MNXM165657 reference chebi:177033 formula C6H9NO5 global charge 0 mol weight 175.14 InChIKey OTCCIMWXFLJLIA-UHFFFAOYSA-N InChI InChI=1S/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12) SMILES CC(=O)NC(CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4? SMILES (mnx) [CH3:1][C:3](=[N:7][CH:4]([CH2:2][C:5](=[O:9])[OH:10])[C:6](=[O:11])[OH:12])[OH:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0