Chem
J-GLOBAL ID：200907017909108942   Nikkaji number：J2.176.583J

3-O-[(6-Mercaptohexyloxy)phosphonyl]-4-O-(2-ammonio-4-O-α-D-mannopyranosyl-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-4-O-α-D-マンノピラノシル-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： C24H47[N+]O18PS
Molecular formula furigana： C24-H47-N-O18-P-S
Molecular weight： 700.660
InChI： InChI=1S/C24H46NO18PS/c25-11-13(29)20(41-24-19(35)14(30)12(28)9(7-26)39-24)10(8-27)40-23(11)42-21-17(33)15(31)16(32)18(34)22(21)43-44(36,37)38-5-3-1-2-4-6-45/h9-24,26-35,45H,1-8,25H2,(H,36,37)/p+1/t9-,10-,11-,12-,13-,14+,15-,16-,17+,18-,19+,20-,21-,22-,23-,24-/m1/s1
InChI key： VBGOAXKDRMTXBZ-WQUMXLTESA-O
SMILES： [NH3+][C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[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-4-O-α-D-マンノピラノシル-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-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}-5-{[(2R,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-3-アミニウム
  • (2R,3R,4R,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-{[(1R,2S,3R,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-({hydroxy[(6-sulfanylhexyl)oxy]phosphoryl}oxy)cyclohexyl]oxy}-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-aminium
Other name (1)：
  • 3-O-[(6-Mercaptohexyloxy)phosphonyl]-4-O-(2-ammonio-4-O-α-D-mannopyranosyl-2-deoxy-α-D-glucopyranosyl)-L-myo-inositol
Thsaurus map：
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