Chem
J-GLOBAL ID：200907025022652691   Nikkaji number：J2.176.582A

3-O-[(6-Mercaptohexyloxy)phosphonyl]-4-O-(2-ammonio-2-deoxy-α-D-glucopyranosyl)-L-myo-inositol

3-O-[(6-メルカプトヘキシルオキシ)ホスホニル]-4-O-(2-アンモニオ-2-デオキシ-α-D-グルコピラノシル)-L-myo-イノシトール
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： C18H37[N+]O13PS
Molecular formula furigana： C18-H37-N-O13-P-S
Molecular weight： 538.520
InChI： InChI=1S/C18H36NO13PS/c19-9-11(22)10(21)8(7-20)30-18(9)31-16-14(25)12(23)13(24)15(26)17(16)32-33(27,28)29-5-3-1-2-4-6-34/h8-18,20-26,34H,1-7,19H2,(H,27,28)/p+1/t8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-/m1/s1
InChI key： JRTLAQNJAMTCET-VSENFZNASA-O
SMILES： [NH3+][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]1OP(=O)(O)OCCCCCCS
Systematic name  (3)：
  • 3-O-[(6-メルカプトヘキシルオキシ)ホスホニル]-4-O-(2-アンモニオ-2-デオキシ-α-D-グルコピラノシル)-L-myo-イノシトール
  • (2R,3R,4R,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-2-{[(1R,2S,3R,4R,5R,6R)-2,3,4,5-テトラヒドロキシ-6-({ヒドロキシ[(6-スルファニルヘキシル)オキシ]ホスホリル}オキシ)シクロヘキシル]オキシ}オキサン-3-アミニウム
  • (2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(1R,2S,3R,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-({hydroxy[(6-sulfanylhexyl)oxy]phosphoryl}oxy)cyclohexyl]oxy}oxan-3-aminium
Other name (1)：
  • 3-O-[(6-Mercaptohexyloxy)phosphonyl]-4-O-(2-ammonio-2-deoxy-α-D-glucopyranosyl)-L-myo-inositol
Thsaurus map：
Thesaurus Map

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