Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
BioCyc websites down
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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: cannabigerolate

Synonyms: CBGA, cannabigerolic acid

Superclasses: a secondary metabolite a terpenophenolic a cannabinoid

Chemical Formula: C22H31O4

Molecular Weight: 359.48 Daltons

Monoisotopic Molecular Weight: 360.2300595156 Daltons

SMILES: CCCCCC1(=CC(=C(C(=C1C([O-])=O)O)CC=C(CCC=C(C)C)C)O)

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+

InChIKey: InChIKey=SEEZIOZEUUMJME-FOWTUZBSSA-M

Unification Links: ChEBI:66962 , PubChem:54740349

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 243.86266 Inferred 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


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 Sun Dec 21, 2014, BIOCYC13B.