Met-Thr-Ala

Properties Image MNX_ID MNXM168322 reference sabiorkM:27529 formula C12H23N3O5S global charge 0 mol weight 321.399 InChIKey GMMLGMFBYCFCCX-UHFFFAOYSA-N InChI InChI=1S/C12H23N3O5S/c1-6(12(19)20)14-11(18)9(7(2)16)15-10(17)8(13)4-5-21-3/h6-9,16H,4-5,13H2,1-3H3,(H,14,18)(H,15,17)(H,19,20) SMILES CSCCC(N)C(O)=NC(C(O)=NC(C)C(=O)O)C(C)O MNX internals InChI (mnx) InChI=1/C12H23N3O5S/c1-6(12(19)20)14-11(18)9(7(2)16)15-10(17)8(13)4-5-21-3/h6-9,16H,4-5,13H2,1-3H3,(H,14,18)(H,15,17)(H,19,20)/t6?,7?,8?,9? SMILES (mnx) [CH3:1][CH:6]([C:12](=[O:19])[OH:20])[N:14]=[C:11]([CH:9]([CH:7]([CH3:2])[OH:16])[N:15]=[C:10]([CH:8]([CH2:4][CH2:5][S:21][CH3:3])[NH2:13])[OH:17])[OH:18]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0