Histidyl-Aspartate

Properties Image MNX_ID MNXM744736 reference biggM:hisasp formula C10H13N4O5 global charge -1 mol weight 269.237 InChIKey MDCTVRUPVLZSPG-RQJHMYQMSA-M InChI InChI=1S/C10H14N4O5/c11-6(1-5-3-12-4-13-5)9(17)14-7(10(18)19)2-8(15)16/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)/p-1/t6-,7+/m1/s1 SMILES N[C@H](CC1=CNC=N1)C(=O)N[C@@H](CC(=O)[O-])C(=O)O MNX internals InChI (mnx) InChI=1/C10H14N4O5/c11-6(1-5-3-12-4-13-5)9(17)14-7(10(18)19)2-8(15)16/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)/t6-,7+/m1/s1 SMILES (mnx) [CH2:1]([C:5]1=[CH:3][N:12]=[CH:4][NH:13]1)[C@H:6]([C:9](=[N:14][C@@H:7]([CH2:2][C:8](=[O:15])[OH:16])[C:10](=[O:18])[OH:19])[OH:17])[NH2:11]

Parent-child relations graph

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