N1-Acetyl-tabtoxinine-beta-lactam

Properties Image MNX_ID MNXM149123 reference chebi:172915 formula C9H14N2O5 global charge 0 mol weight 230.22 InChIKey NWALZXMQMQDKNJ-RCOVLWMOSA-N InChI InChI=1S/C9H14N2O5/c1-5(12)11-6(7(13)14)2-3-9(16)4-10-8(9)15/h6,16H,2-4H2,1H3,(H,10,15)(H,11,12)(H,13,14)/t6-,9-/m0/s1 SMILES CC(=O)N[C@@H](CC[C@]1(O)CNC1=O)C(=O)O MNX internals InChI (mnx) InChI=1/C9H14N2O5/c1-5(12)11-6(7(13)14)2-3-9(16)4-10-8(9)15/h6,16H,2-4H2,1H3,(H,10,15)(H,11,12)(H,13,14)/t6-,9-/m0/s1 SMILES (mnx) [CH3:1][C:5](=[N:11][C@@H:6]([CH2:2][CH2:3][C@:9]1([OH:16])[CH2:4][N:10]=[C:8]1[OH:15])[C:7](=[O:13])[OH:14])[OH:12]

Parent-child relations graph

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