Chem
J-GLOBAL ID：200907005973209258   Nikkaji number：J2.763.665I

S-Formylmycothiol

S-ホルミルミコチオール
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： C18H30N2O13S
Molecular formula furigana： C18-H30-N2-O13-S
Molecular weight： 514.500
InChI： InChI=1S/C18H30N2O13S/c1-5(23)19-6(3-34-4-22)17(31)20-8-10(25)9(24)7(2-21)32-18(8)33-16-14(29)12(27)11(26)13(28)15(16)30/h4,6-16,18,21,24-30H,2-3H2,1H3,(H,19,23)(H,20,31)/t6-,7+,8+,9+,10+,11-,12-,13+,14+,15+,16?,18+/m0/s1
InChI key： JFPVMCRFDBEEHF-APPYBIGUSA-N
SMILES： CC(=O)N[C@@H](CSC=O)C(=O)N[C@H]1[C@@H](OC2[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
Systematic name  (3)：
  • 1-O-[2-[(N-アセチル-S-ホルミル-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-(ホルミルスルファニル)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-(formylsulfanyl)propanamide
Other name (3)：
  • 1-O-[2-[(N-Acetyl-S-formyl-L-cysteinyl)amino]-2-deoxy-α-D-glucopyranosyl]-D-myo-inositol
  • S-Formylmycothiol
  • S-ホルミルミコチオール
KEGG COMPOUND： C06718
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