S-mycothiol-L-cysteine residue

Properties Image MNX_ID MNXM12307 reference chebi:138035 formula C20H33N3O13S2*2 global charge 0 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](CSSC[C@H](NC(C)=O)C(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)C([*])=O MNX internals InChI (mnx) InChI=1/C22H39N3O13S2/c1-7(27)9(23-3)5-39-40-6-10(24-8(2)28)21(36)25-12-14(30)13(29)11(4-26)37-22(12)38-20-18(34)16(32)15(31)17(33)19(20)35/h9-20,22-23,26,29-35H,4-6H2,1-3H3,(H,24,28)(H,25,36)/t9-,10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20-,22+/m0/s1/i1+1,3+1 SMILES (mnx) [13CH3:1][C:7]([C@H:9]([CH2:5][S:39][S:40][CH2:6][C@@H:10]([C:21](=[N:25][C@@H:12]1[C@@H:14]([OH:30])[C@H:13]([OH:29])[C@@H:11]([CH2:4][OH:26])[O:37][C@@H:22]1[O:38][C@H:20]1[C@H:18]([OH:34])[C@@H:16]([OH:32])[C@H:15]([OH:31])[C@@H:17]([OH:33])[C@H:19]1[OH:35])[OH:36])[N:24]=[C:8]([CH3:2])[OH:28])[NH:23][13CH3:3])=[O:27]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0