mycothiol
AlkaPlorer ID: AK020817
Synonym: '', 'Mycothiol'
IUPAC Name: (2R)-2-acetamido-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]-3-sulfanylpropanamide
Structure
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
InChI: 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
InChIKey: MQBCDKMPXVYCGO-UOFZEHBBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Mycobacterium | Mycobacteriaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 486.49600000000015
TPSA？: 245.48
MolLogP？: -4.771399999999991
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|