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.
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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

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 + a reduced electron acceptor → validone 7-phosphate + an oxidized 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 18.5 on Mon Dec 22, 2014, BIOCYC13A.