Chem
J-GLOBAL ID：200907040592193746   Nikkaji number：J2.176.584H

3-O-[(6-Mercaptohexyloxy)phosphonyl]-4-O-[2-ammonio-4-O-(6-O-α-D-mannopyranosyl-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-(6-O-α-D-マンノピラノシル-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： C30H57[N+]O23PS
Molecular formula furigana： C30-H57-N-O23-P-S
Molecular weight： 862.800
InChI： InChI=1S/C30H56NO23PS/c31-13-16(36)25(52-30-24(44)18(38)15(35)12(51-30)9-47-29-23(43)17(37)14(34)10(7-32)49-29)11(8-33)50-28(13)53-26-21(41)19(39)20(40)22(42)27(26)54-55(45,46)48-5-3-1-2-4-6-56/h10-30,32-44,56H,1-9,31H2,(H,45,46)/p+1/t10-,11-,12-,13-,14-,15-,16-,17+,18+,19-,20-,21+,22-,23+,24+,25-,26-,27-,28-,29+,30-/m1/s1
InChI key： QPPGBAFFKZVWTB-AJDNAPLQSA-O
SMILES： [NH3+][C@@H]1[C@@H](O)[C@H](O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[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-(6-O-α-D-マンノピラノシル-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-({[(2S,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}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-({[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}oxan-3-aminium
Other name (1)：
  • 3-O-[(6-Mercaptohexyloxy)phosphonyl]-4-O-[2-ammonio-4-O-(6-O-α-D-mannopyranosyl-α-D-mannopyranosyl)-2-deoxy-α-D-glucopyranosyl]-L-myo-inositol
Thsaurus map：
Thesaurus Map

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