Chem
J-GLOBAL ID：200907041743564837   Nikkaji number：J2.176.587B

3-O-[(6-Mercaptohexyloxy)phosphonyl]-4-O-[2-ammonio-4-O-[6-O-[2-O-(2-O-α-D-mannopyranosyl-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-(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]-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： C42H77[N+]O33PS
Molecular formula furigana： C42-H77-N-O33-P-S
Molecular weight： 1187.090
InChI： InChI=1S/C42H76NO33PS/c43-17-22(52)33(15(10-47)70-38(17)73-34-29(59)25(55)26(56)30(60)35(34)76-77(63,64)66-5-3-1-2-4-6-78)72-40-32(62)24(54)21(51)16(71-40)11-65-41-36(27(57)19(49)13(8-45)68-41)75-42-37(28(58)20(50)14(9-46)69-42)74-39-31(61)23(53)18(48)12(7-44)67-39/h12-42,44-62,78H,1-11,43H2,(H,63,64)/p+1/t12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+,24+,25-,26-,27+,28+,29+,30-,31+,32+,33-,34-,35-,36+,37+,38-,39-,40-,41+,42-/m1/s1
InChI key： JZSBCBXGQNBGCY-HOSUYHKVSA-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]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-(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]-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)-3-{[(2R,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}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}メチル)-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)-3-{[(2R,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}-4,5-dihydroxy-6-(hydroxymethyl)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-(2-O-α-D-mannopyranosyl-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