Chemical Component Summary

Namebeta-cellobiose
Identifiers(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{S},4~{R},5~{R},6~{R})-2-(hydroxymethyl)-4,5,6-tris(oxida nyl)oxan-3-yl]oxy-oxane-3,4,5-triol
FormulaC12 H22 O11
Molecular Weight342.296
TypeSACCHARIDE
Isomeric SMILESC([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
InChIInChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9- ,10-,11-,12+/m1/s1
InChIKeyGUBGYTABKSRVRQ-QRZGKKJRSA-N
CompositionPolymer Sequences: BGC-BGC
BIRD classMETABOLISM
Represented AsBRANCHED
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count10
Bond Count46
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 10712
ChEMBL CHEMBL1231670
ChEBI CHEBI:36217
CCDC/CSD CELLOB07, CELLOB02, CELLOB05, CELLOB04, CELLOB08, CELLOB01
COD 7216050