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Metabolic Modeling Tutorial
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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound Class: a (mannosyl)9-(N-acetylglucosaminyl)2

Synonyms: an {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}, {α-D-mannosyl-(1->2)-α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1->3)-[α-D-mannosyl-(1->2)-α-D-mannosyl-(1,6)]-α-D-mannosyl-(1,6)]-β-D-mannosyl-(1->4)-N-acetyl-β-D-glucosaminyl-(1->4)-N-acetyl-D-glucosaminyl}

Chemical Formula: C70H118N2O56

Molecular Weight: 1883.7 Daltons

Monoisotopic Molecular Weight: 1882.6447206358 Daltons

SMILES: CC(=O)NC1(C(O)C(C(CO)OC(O)1)OC2(C(C(C(C(O2)CO)OC3(C(C(C(C(O3)COC4(C(C(C(C(O4)COC5(C(C(C(C(O5)CO)O)O)OC6(C(C(C(C(O6)CO)O)O)O)))O)OC7(C(C(C(C(O7)CO)O)O)OC8(C(C(C(C(O8)CO)O)O)O)))O))O)OC9(C(C(C(C(O9)CO)O)O)OC%10(C(C(C(C(O%10)CO)O)O)OC%11(C(C(C(C(O%11)CO)O)O)O))))O))O)NC(=O)C))

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -579.7878 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

Not in pathways:
a (mannosyl)9-(N-acetylglucosaminyl)2 + H2O → a (mannosyl)8-(N-acetylglucosaminyl)2 + D-mannose

Credits:
Created 21-Oct-2011 by Kothari A , 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 Fri Nov 21, 2014, biocyc14.