Met-Thr-Gln

Properties Image MNX_ID MNXM1123693 reference chebi:161095 formula C14H26N4O6S global charge 0 mol weight 378.451 InChIKey SPSSJSICDYYTQN-HJGDQZAQSA-N InChI InChI=1S/C14H26N4O6S/c1-7(19)11(18-12(21)8(15)5-6-25-2)13(22)17-9(14(23)24)3-4-10(16)20/h7-9,11,19H,3-6,15H2,1-2H3,(H2,16,20)(H,17,22)(H,18,21)(H,23,24)/t7-,8+,9+,11+/m1/s1 SMILES CSCC[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O MNX internals InChI (mnx) InChI=1/C14H26N4O6S/c1-7(19)11(18-12(21)8(15)5-6-25-2)13(22)17-9(14(23)24)3-4-10(16)20/h7-9,11,19H,3-6,15H2,1-2H3,(H2,16,20)(H,17,22)(H,18,21)(H,23,24)/t7-,8+,9+,11+/m1/s1 SMILES (mnx) [CH3:1][C@H:7]([C@@H:11]([C:13](=[N:17][C@@H:9]([CH2:3][CH2:4][C:10](=[NH:16])[OH:20])[C:14](=[O:23])[OH:24])[OH:22])[N:18]=[C:12]([C@H:8]([CH2:5][CH2:6][S:25][CH3:2])[NH2:15])[OH:21])[OH:19]

Parent-child relations graph

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