Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
Pathway Tools
Intro Tutorial
discounted registration ends Sept 5, 2015
twitter

MetaCyc Compound: valienone 7-phosphate

Summary:
The stereochemical representation of this compound is according to [Minagawa07].

Chemical Formula: C7H9O8P

Molecular Weight: 252.12 Daltons

Monoisotopic Molecular Weight: 254.01915383989999 Daltons

valienone 7-phosphate compound structure

SMILES: C(OP(=O)([O-])[O-])C1(C(O)C(O)C(O)C(=O)C=1)

InChI: InChI=1S/C7H11O8P/c8-4-1-3(2-15-16(12,13)14)5(9)7(11)6(4)10/h1,5-7,9-11H,2H2,(H2,12,13,14)/p-2/t5-,6+,7+/m1/s1

InChIKey: InChIKey=OIBXQBFLSXHTEZ-VQVTYTSYSA-L

Unification Links: PubChem:25203322

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): -294.35812 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

validamycin A biosynthesis :
valienone 7-phosphate + an reduced unknown electron acceptor → validone 7-phosphate + an oxidized unknown electron acceptor
valienone 7-phosphate + validone 7-phosphate → validoxylamine A

Reactions known to produce the compound:

validamycin A biosynthesis :
valienone + ATP → valienone 7-phosphate + ADP + H+


References

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

Minagawa07: Minagawa K, Zhang Y, Ito T, Bai L, Deng Z, Mahmud T (2007). "ValC, a new type of C7-Cyclitol kinase involved in the biosynthesis of the antifungal agent validamycin A." Chembiochem 8(6);632-41. PMID: 17335096


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 19.0 on Fri Aug 28, 2015, biocyc14.