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MetaCyc Compound: C30 botryococcene

Superclasses: a hydrocarbon
a lipidan isoprenoida terpenoida triterpenoid
a secondary metabolitea terpenoida triterpenoid

Citations: [Okada04]

Chemical Formula: C30H50

Molecular Weight: 410.72 Daltons

Monoisotopic Molecular Weight: 410.391251605 Daltons

C30 botryococcene compound structure

SMILES: C=CC(C)(C=CC(C)CCC=C(C)CCC=C(C)C)CCC=C(C)CCC=C(C)C

InChI: InChI=1S/C30H50/c1-10-30(9,23-14-21-28(7)18-12-16-26(4)5)24-22-29(8)20-13-19-27(6)17-11-15-25(2)3/h10,15-16,19,21-22,24,29H,1,11-14,17-18,20,23H2,2-9H3/b24-22+,27-19+,28-21+

InChIKey: InChIKey=LRCNPQXZCZKGDI-FJQSZJNLSA-N

Unification Links: ChEBI:70786, MetaboLights:MTBLC70786, PubChem:14274985

Standard Gibbs Free Energy of Formation (ΔfG in kcal/mol): 672.46606Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

botryococcenes and methylated squalene biosynthesis :
C30 botryococcene + S-adenosyl-L-methionine → showacene + S-adenosyl-L-homocysteine + H+

Not in pathways:
C30 botryococcene + 2 S-adenosyl-L-methionine → 3,20-dimethyl-1,2,21,22-tetradehydro-2,3,20,21-tetrahydrobotryococcene + 2 S-adenosyl-L-homocysteine + 2 H+
C30 botryococcene + S-adenosyl-L-methionine → isoshowacene + S-adenosyl-L-homocysteine + H+

Reactions known to produce the compound:

botryococcenes and methylated squalene biosynthesis :
C30 botryococcene + NADP+ + diphosphate ← presqualene diphosphate + NADPH + H+


References

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

Okada04: Okada S, Devarenne TP, Murakami M, Abe H, Chappell J (2004). "Characterization of botryococcene synthase enzyme activity, a squalene synthase-like activity from the green microalga Botryococcus braunii, Race B." Arch Biochem Biophys 422(1);110-8. PMID: 14725863


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 Pathway Tools version 19.5 (software by SRI International) on Fri Apr 29, 2016, biocyc14.