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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
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MetaCyc Compound: (1,3)-β-xylotriose

Superclasses: all carbohydrates a carbohydrate a glycan a polysaccharide hemicellulose xylan a (1->3)-beta-D-xylan a (1->3)-beta-D-xylan oligosaccharide
all carbohydrates a carbohydrate a glycan an oligosaccharide a (1->3)-beta-D-xylan oligosaccharide
all carbohydrates a carbohydrate a glycan an oligosaccharide a trisaccharide

Chemical Formula: C15H26O13

Molecular Weight: 414.36 Daltons

Monoisotopic Molecular Weight: 414.1373409219 Daltons

SMILES: C1(C(C(C(CO1)O)OC3(OCC(O)C(OC2(C(C(C(CO2)O)O)O))C(O)3))O)O

InChI: InChI=1S/C15H26O13/c16-4-1-25-14(8(20)7(4)19)28-12-6(18)3-26-15(10(12)22)27-11-5(17)2-24-13(23)9(11)21/h4-23H,1-3H2/t4-,5-,6-,7+,8-,9-,10-,11+,12+,13-,14+,15+/m1/s1

InChIKey: InChIKey=WKSXOLNEYANUQB-KWGKWNPMSA-N

Unification Links: PubChem:52940105

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -153.53087 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

(1,3)-β-D-xylan degradation :
a (1->3)-β-D-xylan oligosaccharide + n H2O → n β-D-xylopyranose
a (1->3)-β-D-xylan + n H2O → n a (1->3)-β-D-xylan oligosaccharide

(1,3)-β-D-xylan degradation :
a (1->3)-β-D-xylan + n H2O → n a (1->3)-β-D-xylan oligosaccharide

Not in pathways:
xylan + n H2O → n α-D-xylopyranose


a polysaccharide + H2O → an oligosaccharide


a polysaccharide + H2O → an oligosaccharide

Reactions known to produce the compound:

Not in pathways:
acetylxylan + n H2O → xylan + n acetate

cellulose and hemicellulose degradation (cellulolosome) :
a feruloyl-polysaccharide + H2O → ferulate + a polysaccharide + 2 H+


keratan sulfate + H2O → n an oligosaccharide
blood group substance B + H2O → n an oligosaccharide
blood group substance A + H2O → n an oligosaccharide
a sialyloligosaccharide + H2O → an oligosaccharide + N-acetylneuraminate
a 1,2-β-D-glucan + H2O → n an oligosaccharide
a fucoidan + H2O → fucose + a fucose sulfate + an oligosaccharide


an N-acetyl-β-D-galactosalaminyl-[glycan] + H2O → a glycan + N-acetyl-β-D-galactosamine

In Transport reactions:
an oligosaccharide[extracellular space] + ATP + H2O ↔ an oligosaccharide[cytosol] + ADP + phosphate

Credits:
Created 12-Apr-2011 by Caspi R , SRI International


References

Latendresse13: Latendresse M. (2013). "Computing Gibbs Free Energy of Compounds and Reactions in MetaCyc."


Report Errors or Provide Feedback
Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
Page generated by SRI International Pathway Tools version 18.5 on Sun Dec 21, 2014, BIOCYC13A.