Cystyl-Glutaminyl-Methionine

Properties Image MNX_ID MNXM744678 reference biggM:cysglnmet formula C13H24N4O5S2 global charge 0 mol weight 380.492 InChIKey LMXOUGMSGHFLRX-HRDYMLBCSA-N InChI InChI=1S/C13H24N4O5S2/c1-24-5-4-9(13(21)22)17-12(20)8(2-3-10(15)18)16-11(19)7(14)6-23/h7-9,23H,2-6,14H2,1H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t7-,8+,9-/m1/s1 SMILES CSCC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)CS)C(=O)O MNX internals InChI (mnx) InChI=1/C13H24N4O5S2/c1-24-5-4-9(13(21)22)17-12(20)8(2-3-10(15)18)16-11(19)7(14)6-23/h7-9,23H,2-6,14H2,1H3,(H2,15,18)(H,16,19)(H,17,20)(H,21,22)/t7-,8+,9-/m1/s1 SMILES (mnx) [CH3:1][S:24][CH2:5][CH2:4][C@H:9]([C:13](=[O:21])[OH:22])[N:17]=[C:12]([C@H:8]([CH2:2][CH2:3][C:10](=[NH:15])[OH:18])[N:16]=[C:11]([C@@H:7]([CH2:6][SH:23])[NH2:14])[OH:19])[OH:20]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 3