Chem
J-GLOBAL ID：200907049242766899   Nikkaji number：J2.176.585F

3-O-[(6-Mercaptohexyloxy)phosphonyl]-4-O-[2-ammonio-4-O-[6-O-(2-O-α-D-mannopyranosyl-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-(2-O-α-D-マンノピラノシル-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： C36H67[N+]O28PS
Molecular formula furigana： C36-H67-N-O28-P-S
Molecular weight： 1024.940
InChI： InChI=1S/C36H66NO28PS/c37-15-19(44)29(13(9-40)60-33(15)63-30-25(50)22(47)23(48)26(51)31(30)65-66(54,55)57-5-3-1-2-4-6-67)62-35-28(53)21(46)18(43)14(61-35)10-56-36-32(24(49)17(42)12(8-39)59-36)64-34-27(52)20(45)16(41)11(7-38)58-34/h11-36,38-53,67H,1-10,37H2,(H,54,55)/p+1/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20+,21+,22-,23-,24+,25+,26-,27+,28+,29-,30-,31-,32+,33-,34-,35-,36+/m1/s1
InChI key： UMFDQWBXDZZOKA-RSEXLHEFSA-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]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-(2-O-α-D-マンノピラノシル-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)-5-{[(2R,3S,4S,5S,6R)-6-({[(2S,3S,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-3-{[(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-2-イル]オキシ}メチル)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-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}オキサン-3-アミニウム
  • (2R,3R,4R,5S,6R)-5-{[(2R,3S,4S,5S,6R)-6-({[(2S,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-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}oxan-3-aminium
Other name (1)：
  • 3-O-[(6-Mercaptohexyloxy)phosphonyl]-4-O-[2-ammonio-4-O-[6-O-(2-O-α-D-mannopyranosyl-α-D-mannopyranosyl)-α-D-mannopyranosyl]-2-deoxy-α-D-glucopyranosyl]-L-myo-inositol
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM