input word = C00028629

Metabolite InformationStructural formula
Name Mycothiol
Formula C17H30N2O12S
Mw 486.15194517
CAS RN 192126-76-4
C_ID C00028629 ,
InChIKey MQBCDKMPXVYCGO-WQPIVGCJNA-N
InChICode InChI=1S/C17H30N2O12S/c1-4(21)18-5(3-32)16(29)19-7-9(23)8(22)6(2-20)30-17(7)31-15-13(27)11(25)10(24)12(26)14(15)28/h5-15,17,20,22-28,32H,2-3H2,1H3,(H,18,21)(H,19,29)/t5-,6+,7+,8+,9+,10-,11+,12-,13+,14-,15+,17+/m0/s1
SMILES CC(=O)N[C@@H](CS)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
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaMicrobacteriaceaeMicrobacterium bovis Ref.
BacteriaMycobacteriaceaeMycobacterium thuberculosis Ref.
--Theonella swinhoei Ref.
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