Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-18 01:44:48 UTC
Update Date2022-08-31 18:23:34 UTC
Metabolite IDMMDBc0031697
Metabolite Identification
Common Name6-Phospho-beta-D-glucosyl-(1,4)-D-glucose
Description6-phospho-beta-D-glucosyl-(1,4)-D-glucose is a member of the chemical class known as Dihexoses. These are disaccharides containing two hexose carbohydrates.
Structure
Synonyms
ValueSource
4-O-(6-O-Phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranoseChEBI
beta-D-Cellobiose 6'-phosphateChEBI
Cellobiose 6-phosphateChEBI
Cellobiose 6'-phosphateKegg
4-O-(6-O-Phosphono-b-D-glucopyranosyl)-b-D-glucopyranoseGenerator
4-O-(6-O-Phosphono-β-D-glucopyranosyl)-β-D-glucopyranoseGenerator
b-D-Cellobiose 6'-phosphateGenerator
b-D-Cellobiose 6'-phosphoric acidGenerator
beta-D-Cellobiose 6'-phosphoric acidGenerator
Β-D-cellobiose 6'-phosphateGenerator
Β-D-cellobiose 6'-phosphoric acidGenerator
Cellobiose 6-phosphoric acidGenerator
Cellobiose 6'-phosphoric acidGenerator
6-Phospho-b-D-glucosyl-(1,4)-D-glucoseGenerator
6-Phospho-β-D-glucosyl-(1,4)-D-glucoseGenerator
6-Phospho-beta-D-glucosyl-(1,4)-D-glucoseChEBI
6-Phospho-b-D-glucosyl-(1->4)-b-D-glucoseGenerator
6-Phospho-β-D-glucosyl-(1->4)-β-D-glucoseGenerator
Molecular FormulaC12H23O14P
Average Mass422.2764
Monoisotopic Mass422.082541956
IUPAC Name{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methoxy}phosphonic acid
Traditional Name[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-2-yl]methoxyphosphonic acid
CAS Registry NumberNot Available
SMILES
[H][C@@]1(O)O[C@]([H])(CO)[C@@]([H])(O[C@]2([H])O[C@]([H])(COP(O)(O)=O)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]1([H])O
InChI Identifier
InChI=1S/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
InChI KeyITPHOIFCAFNCLL-QRZGKKJRSA-N