Chem
J-GLOBAL ID:200907041350664805
Nikkaji number:J2.469.855F
5′-Methylthiocoformycin
5′-メチルチオコホルマイシン
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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:
C12 H18 N4 O4 S
Molecular formula furigana:
C12-H18-N4-O4-S
Molecular weight:
314.360
InChI:
InChI=1S/C12H18N4O4S/c1-21-3-7-9(18)10(19)12(20-7)16-5-15-8-6(17)2-13-4-14-11(8)16/h4-7,9-10,12,17-19H,2-3H2,1H3,(H,13,14)/t6-,7-,9-,10-,12-/m1/s1
InChI key:
QLPPCUVJNCMYFD-SANHVUMCSA-N
SMILES:
CSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2[C@H](O)CN=CNc12
Systematic name (4):
(8R)-3,4,7,8-テトラヒドロ-3-(5-メチルチオ-5-デオキシ-β-D-リボフラノシル)イミダゾ[4,5-d][1,3]ジアゼピン-8-オール
(8R)-3-[5-(メチルチオ)-5-デオキシ-β-D-リボフラノシル]-3,6,7,8-テトラヒドロイミダゾ[4,5-d][1,3]ジアゼピン-8-オール
(2R,3R,4S,5S)-2-[(8R)-8-ヒドロキシ-3H,4H,7H,8H-イミダゾ[4,5-d][1,3]ジアゼピン-3-イル]-5-[(メチルスルファニル)メチル]オキソラン-3,4-ジオール
(2R,3R,4S,5S)-2-[(8R)-8-hydroxy-3H,4H,7H,8H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-[(methylsulfanyl)methyl]oxolane-3,4-diol
Other name (4):
(8R)-3,4,7,8-Tetrahydro-3-(5-methylthio-5-deoxy-β-D-ribofuranosyl)imidazo[4,5-d][1,3]diazepine-8-ol
5′-メチルチオコホルマイシン
5′-Methylthiocoformycin
(8R)-3-[5-(Methylthio)-5-deoxy-β-D-ribofuranosyl]-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepine-8-ol
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