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Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
Metabolic Modeling Tutorial
discounted EARLY registration ends Dec 31, 2014
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MetaCyc Compound: all-trans neurosporene

Synonyms: 7,8-dihydro-ψ,ψ-carotene, neurosporene

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: C40H58

Molecular Weight: 538.9 Daltons

Monoisotopic Molecular Weight: 538.4538518618 Daltons

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

InChI: InChI=1S/C40H58/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/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3/b12-11+,25-15+,26-16+,31-17+,35-21+,36-22+,37-27+,38-28+,39-29+,40-30+

InChIKey: InChIKey=ATCICVFRSJQYDV-XILUKMICSA-N

Unification Links: ChEBI:16833 , ChemSpider:4444347 , HMDB:HMDB03114 , KEGG:C05431 , LIPID MAPS:LMPR01070086 , PubChem:5280789

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 864.46497 Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

spheroidene and spheroidenone biosynthesis :
1-hydroxyneurosporene ← all-trans neurosporene + H2O

spirilloxanthin and 2,2'-diketo-spirilloxanthin biosynthesis , trans-lycopene biosynthesis I (bacteria) :
all-trans neurosporene + an oxidized electron acceptor → all-trans-lycopene + a reduced electron acceptor

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

Reactions known to produce the compound:

neurosporene biosynthesis :
all-trans-ζ-carotene + an oxidized electron acceptor → all-trans neurosporene + a reduced electron acceptor

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

In Reactions of unknown directionality:

Not in pathways:
15-cis-phytoene + 3 an oxidized electron acceptor = all-trans neurosporene + 3 a reduced electron acceptor
all-trans neurosporene = α-zeacarotene
all-trans neurosporene = β-zeacarotene


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 Nov 23, 2014, biocyc14.