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.
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
12/28 - 12/31
for maintenance.
twitter

MetaCyc Compound: β-solanine

Superclasses: a secondary metabolite an alkaloid a glycoalkaloid

Chemical Formula: C39H63NO11

Molecular Weight: 721.93 Daltons

Monoisotopic Molecular Weight: 721.4401118706 Daltons

SMILES: CC1(CCC6(N(C1)C7(CC5(C8(CC=C4(CC(OC3(OC(CO)C(O)C(OC2(OC(CO)C(O)C(O)C(O)2))C(O)3))CCC(C)4C(CCC(C)5C(C(C)6)7)8))))))

InChI: InChI=1S/C39H63NO11/c1-18-5-8-25-19(2)29-26(40(25)15-18)14-24-22-7-6-20-13-21(9-11-38(20,3)23(22)10-12-39(24,29)4)48-37-34(47)35(31(44)28(17-42)50-37)51-36-33(46)32(45)30(43)27(16-41)49-36/h6,18-19,21-37,41-47H,5,7-17H2,1-4H3/t18-,19+,21-,22+,23-,24-,25+,26-,27+,28+,29-,30+,31-,32-,33+,34+,35-,36-,37+,38-,39-/m0/s1

InChIKey: InChIKey=OCVQAFQRXHOFMV-IEGURRFDSA-N

Unification Links: PubChem:45479590

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 355.79053 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

steroidal glycoalkaloid biosynthesis :
β-solanine + UDP-L-rhamnose → α-solanine + UDP

Reactions known to produce the compound:

steroidal glycoalkaloid biosynthesis :
UDP-α-D-glucose + γ-solanine → β-solanine + UDP + 2 H+

Credits:
Created 29-Nov-2010 by Pujar A , Boyce Thompson Institute


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 Sat Dec 20, 2014, BIOCYC13A.