Record Information
Version2.0
StatusDetected and Quantified
Creation Date2020-10-28 18:40:06 UTC
Update Date2025-10-07 16:04:22 UTC
Metabolite IDMMDBc0000322
Metabolite Identification
Common NameCellotetraose
DescriptionCellotetraose is a tetrasaccharide belonging to the class of oligosaccharides, specifically composed of four glucose units linked by β-1,4-glycosidic bonds. Its chemical structure allows it to participate in various biochemical pathways, particularly in the degradation of cellulose. Cellotetraose is involved in molecular docking studies that analyze its interactions with cellulases, enzymes that hydrolyze cellulose into simpler sugars. For instance, significant interactions between cellotetraose and cellulase from Bacillus species have been documented, revealing stable binding energies (PMID:39336793 ). The hydrolysis of cellotetraose is influenced by specific amino acids in the enzyme, such as His70, which plays a crucial role in the efficient hydrolysis of short cellodextrins (PMID:40111668 ). Additionally, cellotetraose has been differentiated from other tetrasaccharides using advanced mass spectrometry techniques (PMID:39420774 ). Its substrate specificity is highlighted in studies showing that certain β-glucosidases exhibit activity on cellotetraose, indicating its relevance in enzymatic processes (PMID:38944065 ). Overall, cellotetraose serves as an important substrate in cellulose degradation pathways, contributing to our understanding of carbohydrate metabolism.
Structure
Synonyms
ValueSource
beta-D-GLCP-(1->4)-beta-D-GLCP-(1->4)-beta-D-GLCP-(1->4)-D-GLCPChEBI
D-CellotetraoseChEBI
WURCS=2.0/2,4,3/[a2122h-1x_1-5][a2122h-1b_1-5]/1-2-2-2/a4-b1_b4-c1_c4-D1ChEBI
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