Chem
J-GLOBAL ID：200907036229957826   Nikkaji number：J663.936D

Mycothiol

ミコチオール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C17H30N2O12S
Molecular formula furigana： C17-H30-N2-O12-S
Molecular weight： 486.490
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
InChI key： MQBCDKMPXVYCGO-JIEMFSDCSA-N
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]1OC1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
Systematic name  (3)：
  • 1-O-[2-[(N-アセチル-L-システイニル)アミノ]-2-デオキシ-α-D-グルコピラノシル]-D-myo-イノシトール
  • (2R)-N-[(2R,3R,4R,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-2-{[(2R,3R,4S,5S,6R)-2,3,4,5,6-ペンタヒドロキシシクロヘキシル]オキシ}オキサン-3-イル]-2-アセトアミド-3-スルファニルプロパンアミド
  • (2R)-N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}oxan-3-yl]-2-acetamido-3-sulfanylpropanamide
Other name (3)：
  • 1-O-[2-[(N-Acetyl-L-cysteinyl)amino]-2-deoxy-α-D-glucopyranosyl]-D-myo-inositol
  • ミコチオール
  • Mycothiol
KEGG COMPOUND： C06717
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