S-(hydroxymethyl)bacillithiol

<i>S</i>-(hydroxymethyl)bacillithiol




Chemical Formula:
C14H23N2O11S
Molecular Weight:
427.402 Daltons
Monoisotopic Mass:
429.11790534600004 Daltons
SMILES:
C(SCO)C([N+])C(=O)NC1(C(O)C(O)C(CO)OC(OC(CC([O-])=O)C(=O)[O-])1)
InChI:
1S/C14H24N2O11S/c15-5(3-28-4-18)12(23)16-9-11(22)10(21)7(2-17)27-14(9)26-6(13(24)25)1-8(19)20/h5-7,9-11,14,17-18,21-22H,1-4,15H2,(H,16,23)(H,19,20)(H,24,25)/p-1/t5-,6-,7+,9+,10+,11+,14-/m0/s1
InChIKey:
IFTMXGMCCGLTEN-PDOSMWEUSA-M

Databases
MetaCyc:  CPD-20111
PubChem (CID):  129320329