twitter

MetaCyc Compound: all-trans-phytoene

Synonyms: 7,7',8,8',11,11',12,12'-octahydro-ψ,ψ-caro

Superclasses: a lipid an isoprenoid a terpenoid a tetraterpenoid a carotenoid a carotene
a secondary metabolite a terpenoid a tetraterpenoid a carotenoid a carotene

Chemical Formula: C40H64

Molecular Weight: 544.95 Daltons

Monoisotopic Molecular Weight: 544.5008020544 Daltons

all-<i>trans</i>-phytoene compound structure

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

InChI: InChI=1S/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3/b12-11+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

InChIKey: InChIKey=YVLPJIGOMTXXLP-KEKOKYSKSA-N

Unification Links: CAS:540-04-5 , ChEBI:8191 , ChemSpider:4444344 , HMDB:HMDB02181 , KEGG:C05413 , LIPID MAPS:LMPR01070254 , MetaboLights:MTBLC8191 , PubChem:5280784

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 887.93176 Inferred by computational analysis [Latendresse13]

In Reactions of unknown directionality:

Not in pathways:
2 geranylgeranyl diphosphate = all-trans-phytoene + 2 diphosphate
prephytoene diphosphate = all-trans-phytoene + diphosphate

This compound has been characterized as an alternative substrate of the following enzymes: dehydrosqualene desaturase


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 Sun May 24, 2015, BIOCYC13A.