twitter

MetaCyc Compound: geranate

Synonyms: geranic acid, nerolic acid, nerolate, 3,7-dimethyl-2,6-octadienoic acid, neric acid

Superclasses: an acid

Chemical Formula: C10H15O2

Molecular Weight: 167.23 Daltons

Monoisotopic Molecular Weight: 168.1150297578 Daltons

geranate compound structure

SMILES: CC(=CCCC(=CC(=O)[O-])C)C

InChI: InChI=1S/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)/p-1/b9-7+

InChIKey: InChIKey=ZHYZQXUYZJNEHD-VQHVLOKHSA-M

Unification Links: ChEBI:67260 , ChemSpider:7828243 , HMDB:HMDB36103 , KEGG:C16461 , PubChem:9549327

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 118.39475 Inferred by computational analysis [Latendresse13]

Reactions known to produce the compound:

Not in pathways:
geranial + oxygen + H2O → geranate + hydrogen peroxide + H+

Reactions known to both consume and produce the compound:

β myrcene degradation , geraniol and nerol degradation :
geranial + NAD+ + H2O ↔ geranate + NADH + 2 H+

This compound has been characterized as an alternative substrate of the following enzymes: farnesoic acid carboxyl methyltransferase


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 19.0 on Tue Mar 31, 2015, biocyc13.