ophthalmate

Properties Image MNX_ID MNXM65600 reference chebi:189750 formula C11H18N3O6 global charge -1 mol weight 288.28 InChIKey JCMUOFQHZLPHQP-BQBZGAKWSA-M InChI InChI=1S/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/p-1/t6-,7-/m0/s1 SMILES CC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-] MNX internals InChI (mnx) InChI=1/C11H19N3O6/c1-2-7(10(18)13-5-9(16)17)14-8(15)4-3-6(12)11(19)20/h6-7H,2-5,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)/t6-,7-/m0/s1 SMILES (mnx) [CH3:1][CH2:2][C@@H:7]([C:10](=[N:13][CH2:5][C:9](=[O:16])[OH:17])[OH:18])[N:14]=[C:8]([CH2:4][CH2:3][C@@H:6]([C:11](=[O:19])[OH:20])[NH2:12])[OH:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 1