Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-10-28 18:40:06 UTC
Update Date2022-08-31 03:26:47 UTC
Metabolite IDMMDBc0000322
Metabolite Identification
Common NameCellotetraose
Descriptioncellotetraose belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. cellotetraose is an extremely weak basic (essentially neutral) compound (based on its pKa). A glucotetrose comprised of four D-glucose residues connected by beta(1->4) linkages.
Structure
Synonyms
ValueSource
beta-D-GLCP-(1->4)-beta-D-GLCP-(1->4)-beta-D-GLCP-(1->4)-D-GLCPChEBI
D-CellotetraoseChEBI
b-D-GLCP-(1->4)-b-D-GLCP-(1->4)-b-D-GLCP-(1->4)-D-GLCPGenerator
Β-D-GLCP-(1->4)-β-D-GLCP-(1->4)-β-D-GLCP-(1->4)-D-GLCPGenerator
CellotetroseMeSH
Molecular FormulaC24H42O21
Average Mass666.579
Monoisotopic Mass666.221858372
IUPAC Name(2S,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6S)-6-{[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
Traditional Namecellotetraose
CAS Registry NumberNot Available
SMILES
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](O)C(O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
InChI Identifier
InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22+,23+,24+/m1/s1
InChI KeyLUEWUZLMQUOBSB-YQGOCCRESA-N