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Details of Cellobiitol

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Role	Metabolite
MPIMP ID	M000789
stereoisomer	2S,3R,4R,5R)-4-[(2S,3R,4S,5S,6R
isotopomer	ambient
formula	C12H24O11
molecular mass	344.313
monoisotopic mass	344.13187
InChI	InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12-/m0/s1
InChIKey	VQHSOMBJVWLPSR-WELRSGGNSA-N
class	Conjugate (Hexosyl, Hexitol)
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%271947da78-c156-4ae4-b7c7-7b77776438fb%27)

Synonyms of Cellobiitol

property	value
Beilstein	5346363
BRENDA	4154
CAS	535-94-4
ChemSpider ID	141050
PubChem CID	160514
PubChem SID	24892999
PubChem SID	92298071
synonym	1-beta-D-Glucosyl-4-D-glucitol
synonym	4-O-beta-D-Glucopyranosyl-D-glucitol
synonym	Cellobiitol
10 synonym(s)

Derivatives of Cellobiitol

analyte	stereoisomer	isotopomer
Cellobiitol (9TMS)		ambient
1 analyte(s)

Reference substances of Cellobiitol

reference substance	supplier	supplier code	lot
Cellobiitol	Sigma	C9455	078H37783
1 reference substance(s)

Isotopomers and stereoisomers of Cellobiitol

metabolite	stereoisomer	isotopomer
Cellobiitol	L-	ambient
1 metabolite(s)

Quantitative Cellobiitol Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova F score
no metabolite profile(s) found.

Qualitative Cellobiitol Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 8/29/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 5/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J.

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