Aspartyl-Glutamate

Properties Image MNX_ID MNXM744648 reference biggM:aspglu formula C9H12N2O7 global charge -2 mol weight 260.202 InChIKey CKAJHWFHHFSCDT-CNZKWPKMSA-L InChI InChI=1S/C9H14N2O7/c10-4(3-7(14)15)8(16)11-5(9(17)18)1-2-6(12)13/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)/p-2/t4-,5?/m1/s1 SMILES N[C@H](CC(=O)[O-])C(=O)NC(CCC(=O)[O-])C(=O)O MNX internals InChI (mnx) InChI=1/C9H14N2O7/c10-4(3-7(14)15)8(16)11-5(9(17)18)1-2-6(12)13/h4-5H,1-3,10H2,(H,11,16)(H,12,13)(H,14,15)(H,17,18)/t4-,5?/m1/s1 SMILES (mnx) [CH2:1]([CH2:2][C:6](=[O:12])[OH:13])[CH:5]([C:9](=[O:17])[OH:18])[N:11]=[C:8]([C@@H:4]([CH2:3][C:7](=[O:14])[OH:15])[NH2:10])[OH:16]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3