Asp-Asn-Asp

Properties Image MNX_ID MNXM1122965 reference chebi:160363 formula C12H18N4O9 global charge 0 mol weight 362.295 InChIKey QRULNKJGYQQZMW-ZLUOBGJFSA-N InChI InChI=1S/C12H18N4O9/c13-4(1-8(18)19)10(22)15-5(2-7(14)17)11(23)16-6(12(24)25)3-9(20)21/h4-6H,1-3,13H2,(H2,14,17)(H,15,22)(H,16,23)(H,18,19)(H,20,21)(H,24,25)/t4-,5-,6-/m0/s1 SMILES NC(=O)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C12H18N4O9/c13-4(1-8(18)19)10(22)15-5(2-7(14)17)11(23)16-6(12(24)25)3-9(20)21/h4-6H,1-3,13H2,(H2,14,17)(H,15,22)(H,16,23)(H,18,19)(H,20,21)(H,24,25)/t4-,5-,6-/m0/s1 SMILES (mnx) [CH2:1]([C@@H:4]([C:10](=[N:15][C@@H:5]([CH2:2][C:7](=[NH:14])[OH:17])[C:11](=[N:16][C@@H:6]([CH2:3][C:9](=[O:20])[OH:21])[C:12](=[O:24])[OH:25])[OH:23])[OH:22])[NH2:13])[C:8](=[O:18])[OH:19]

Parent-child relations graph

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