MetaCyc Compound: cannabigerolate

Synonyms: CBGA, cannabigerolic acid

Superclasses: a secondary metabolitea terpenophenolica cannabinoid

Chemical Formula: C22H31O4

Molecular Weight: 359.48 Daltons

Monoisotopic Molecular Weight: 360.2300595156 Daltons

cannabigerolate compound structure


InChI: InChI=1S/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)/p-1/b16-12+


Unification Links: ChEBI:66962, PubChem:54740349

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 243.86266Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

cannabinoid biosynthesis :
cannabigerolate + oxygen → cannabidiolate + hydrogen peroxide
cannabigerolate + oxygen → Δ9-tetrahydrocannabinolate + hydrogen peroxide
cannabigerolate + oxygen → cannabichromenate + hydrogen peroxide

Reactions known to produce the compound:

cannabinoid biosynthesis :
geranyl diphosphate + olivetolate → cannabigerolate + diphosphate


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

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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