Asn-Glu-Met

Properties Image MNX_ID MNXM1122345 reference chebi:159738 formula C14H24N4O7S global charge 0 mol weight 392.434 InChIKey ASCGFDYEKSRNPL-CIUDSAMLSA-N InChI InChI=1S/C14H24N4O7S/c1-26-5-4-9(14(24)25)18-13(23)8(2-3-11(20)21)17-12(22)7(15)6-10(16)19/h7-9H,2-6,15H2,1H3,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1 SMILES CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(N)=O)C(=O)O MNX internals InChI (mnx) InChI=1/C14H24N4O7S/c1-26-5-4-9(14(24)25)18-13(23)8(2-3-11(20)21)17-12(22)7(15)6-10(16)19/h7-9H,2-6,15H2,1H3,(H2,16,19)(H,17,22)(H,18,23)(H,20,21)(H,24,25)/t7-,8-,9-/m0/s1 SMILES (mnx) [CH3:1][S:26][CH2:5][CH2:4][C@@H:9]([C:14](=[O:24])[OH:25])[N:18]=[C:13]([C@H:8]([CH2:2][CH2:3][C:11](=[O:20])[OH:21])[N:17]=[C:12]([C@H:7]([CH2:6][C:10](=[NH:16])[OH:19])[NH2:15])[OH:22])[OH:23]

Parent-child relations graph

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