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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: 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

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]

Reactions known to consume the compound:

linoleate biosynthesis I (plants) :
oleoyl-CoA + a lipid + H+ → a lipid oleoyl-group + coenzyme A

Reactions known to produce the compound:

glutathione redox reactions I :
a lipid hydroperoxide + 2 glutathione + H+a lipid + glutathione disulfide + 2 H2O

In Reactions of unknown directionality:

Not in pathways:
2 geranylgeranyl diphosphate = all-trans-phytoene + 2 diphosphate
prephytoene diphosphate = all-trans-phytoene + 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 Mon Dec 22, 2014, BIOCYC14B.