Asn-Glu-Glu

Properties Image MNX_ID MNXM1122334 reference chebi:159727 formula C14H22N4O9 global charge 0 mol weight 390.349 InChIKey BZMWJLLUAKSIMH-FXQIFTODSA-N InChI InChI=1S/C14H22N4O9/c15-6(5-9(16)19)12(24)17-7(1-3-10(20)21)13(25)18-8(14(26)27)2-4-11(22)23/h6-8H,1-5,15H2,(H2,16,19)(H,17,24)(H,18,25)(H,20,21)(H,22,23)(H,26,27)/t6-,7-,8-/m0/s1 SMILES NC(=O)C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O MNX internals InChI (mnx) InChI=1/C14H22N4O9/c15-6(5-9(16)19)12(24)17-7(1-3-10(20)21)13(25)18-8(14(26)27)2-4-11(22)23/h6-8H,1-5,15H2,(H2,16,19)(H,17,24)(H,18,25)(H,20,21)(H,22,23)(H,26,27)/t6-,7-,8-/m0/s1 SMILES (mnx) [CH2:1]([CH2:3][C:10](=[O:20])[OH:21])[C@@H:7]([C:13](=[N:18][C@@H:8]([CH2:2][CH2:4][C:11](=[O:22])[OH:23])[C:14](=[O:26])[OH:27])[OH:25])[N:17]=[C:12]([C@H:6]([CH2:5][C:9](=[NH:16])[OH:19])[NH2:15])[OH:24]

Parent-child relations graph

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