Name: Mycothiol
Rating: 5 (10 reviews)

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HIT ID:HIT212689140
Cas No:192126-76-4
常用名:Mycothiol
IUPAC:(2R)-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}oxan-3-yl]-2-acetamido-3-sulfanylpropanamide
IUPAC:(2R)-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}oxan-3-yl]-2-acetamido-3-sulfanylpropanamide
InChI key:MQBCDKMPXVYCGO-FQBKTPCVSA-N

分子式:C17H30N2O12S
分子量:486.49
氢键供体数 (HBD):11
氢键受体数 (HBA):12
LogP:-6.3288474
SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
SMILES:CC(=O)N[C@@H](CS)C(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O

Mycothiol is a glyco-inositol-cysteine. It also conjugates exogenous compounds for detoxication. It also is the microbe equivalent of glutathione in the eukaryote.

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