Pro-Met-Thr

Properties Image MNX_ID MNXM1125120 reference chebi:162530 formula C14H25N3O5S global charge 0 mol weight 347.437 InChIKey QGLFRQCECIWXFA-RCWTZXSCSA-N InChI InChI=1S/C14H25N3O5S/c1-8(18)11(14(21)22)17-13(20)10(5-7-23-2)16-12(19)9-4-3-6-15-9/h8-11,15,18H,3-7H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)/t8-,9+,10+,11+/m1/s1 SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@H](C(=O)O)[C@@H](C)O MNX internals InChI (mnx) InChI=1/C14H25N3O5S/c1-8(18)11(14(21)22)17-13(20)10(5-7-23-2)16-12(19)9-4-3-6-15-9/h8-11,15,18H,3-7H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)/t8-,9+,10+,11+/m1/s1 SMILES (mnx) [CH3:1][C@H:8]([C@@H:11]([C:14](=[O:21])[OH:22])[N:17]=[C:13]([C@H:10]([CH2:5][CH2:7][S:23][CH3:2])[N:16]=[C:12]([C@@H:9]1[CH2:4][CH2:3][CH2:6][NH:15]1)[OH:19])[OH:20])[OH:18]

Parent-child relations graph

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