Chem
J-GLOBAL ID：200907067520759481   Nikkaji number：J92.820H

Nigerose

ニゲロース
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： C12H22O11
Molecular formula furigana： C12-H22-O11
Molecular weight： 342.297
InChI： InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h2,4-13,15-21H,1,3H2/t4-,5+,6-,7-,8-,9+,10-,11-,12-/m1/s1
InChI key： YGEHCIVVZVBCLE-NIKVEEOSSA-N
SMILES： OC[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)C=O
Systematic name  (3)：
  • 3-O-α-D-グルコピラノシル-D-グルコース
  • (2R,3S,4R,5R)-2,4,5,6-テトラヒドロキシ-3-{[(2R,3R,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}ヘキサナール
  • (2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hexanal
Other name (5)：
  • サケビオース
  • Nigerose
  • ニゲロース
  • Sakebiose
  • 3-O-α-D-Glucopyranosyl-D-glucose
CAS registry number： 497-48-3
KEGG COMPOUND： C01518
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