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
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: O-glucosyl-ergosterol

Chemical Formula: C34H54O6

Molecular Weight: 558.8 Daltons

Monoisotopic Molecular Weight: 558.392039466 Daltons

SMILES: CC(C)C(C)C=CC(C)C4(CCC3(C5(=CC=C2(CC(OC1(OC(CO)C(O)C(O)C(O)1))CCC(C)2C(CCC(C)34)5))))

InChI: InChI=1S/C34H54O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h7-10,19-21,23,25-32,35-38H,11-18H2,1-6H3/b8-7+/t20-,21+,23-,25?,26?,27?,28+,29+,30-,31+,32?,33-,34+/m0/s1

InChIKey: InChIKey=MKZPNGBJJJZJMI-UOSQYACQSA-N

Unification Links: PubChem:44237256

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 443.35052 Inferred by computational analysis [Latendresse13]

Credits:
Created 06-Aug-2009 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 Tue Nov 25, 2014, BIOCYC13A.