Bacillithiol
AlkaPlorer ID: AK290079
Synonym: 2-[[2-(2-Amino-3-mercapto-1-oxopropyl)amino]-2-deoxy-α-D-glucopyranosyl]oxy]butanedioic acid, BSH
IUPAC Name: 2-[3-[(2-amino-3-sulfanylpropanoyl)amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanedioic acid
Structure
SMILES: NC(CS)C(=O)NC1C(OC(CC(=O)O)C(=O)O)OC(CO)C(O)C1O
InChI: InChI=1S/C13H22N2O10S/c14-4(3-26)11(21)15-8-10(20)9(19)6(2-16)25-13(8)24-5(12(22)23)1-7(17)18/h4-6,8-10,13,16,19-20,26H,1-3,14H2,(H,15,21)(H,17,18)(H,22,23)
InChIKey: UHNHELGKNQMNGF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus | Bacillaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
| Deinococcus radiodurans | Deinococcus | Deinococcaceae | Deinococcales | Deinococci | Deinococcota | None | Bacteria |
Properties Information
Molecule Weight: 398.3900000000001
TPSA？: 208.87
MolLogP？: -3.888199999999997
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|