Cellobiose

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Systematic / IUPAC Name: (2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

ID: Reference13670

Other Names: D-Cellobiose;
β-Cellobiose;
AA-3779

Formula: C12H22O11

Class: Endogenous Metabolites Excipients/Additives/Colorants

Spectral Data

Cellobiose mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 2
No. of Spectra 785
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 11/28/2025 12:48:33 PM
View Mass Spec Data > >

Identificators

InChI InChI=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
InChI Key GUBGYTABKSRVRQ-QRZGKKJRSA-N
Canonical SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
CAS
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Other Names D-Cellobiose;
β-Cellobiose;
AA-3779

In Other Databases

PubChem 10712
ChEBI CHEBI:36217
ChemSpider 10261
HMDb HMDB0000055
ChEMBL CHEMBL1231670
KEGG C06422