Chem
J-GLOBAL ID:200907066960512007   Nikkaji number:J1.970.084D

β-1,4-Mannohexaose

β-1,4-マンノヘキサオース
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: C36H62O31
Molecular formula furigana: C36-H62-O31
Molecular weight: 990.861
InChI: InChI=1S/C36H62O31/c37-1-8(44)15(46)27(9(45)2-38)63-33-23(54)18(49)29(11(4-40)59-33)65-35-25(56)20(51)31(13(6-42)61-35)67-36-26(57)21(52)30(14(7-43)62-36)66-34-24(55)19(50)28(12(5-41)60-34)64-32-22(53)17(48)16(47)10(3-39)58-32/h1,8-36,38-57H,2-7H2/t8-,9-,10-,11-,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: DJMVHSOAUQHPSN-BDEBKWNZSA-N
SMILES: OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O)[C@H](O)[C@H](O)C=O
Systematic name  (3):
  • 4-O-[4-O-[4-O-[4-O-(4-O-β-D-マンノピラノシル-β-D-マンノピラノシル)-β-D-マンノピラノシル]-β-D-マンノピラノシル]-β-D-マンノピラノシル]-D-マンノース
  • (2S,3R,4R,5R)-4-{[(2S,3S,4R,5S,6R)-5-{[(2S,3S,4R,5S,6R)-5-{[(2S,3S,4R,5S,6R)-5-{[(2S,3S,4R,5S,6R)-3,4-ジヒドロキシ-6-(ヒドロキシメチル)-5-{[(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}オキサン-2-イル]オキシ}-3,4-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}-3,4-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}-3,4-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}-2,3,5,6-テトラヒドロキシヘキサナール
  • (2S,3R,4R,5R)-4-{[(2S,3S,4R,5S,6R)-5-{[(2S,3S,4R,5S,6R)-5-{[(2S,3S,4R,5S,6R)-5-{[(2S,3S,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,5,6-tetrahydroxyhexanal
Other name (3):
  • 4-O-[4-O-[4-O-[4-O-(4-O-β-D-Mannopyranosyl-β-D-mannopyranosyl)-β-D-mannopyranosyl]-β-D-mannopyranosyl]-β-D-mannopyranosyl]-D-mannose
  • β-1,4-マンノヘキサオース
  • β-1,4-Mannohexaose
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