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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

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

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:

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

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

Reactions known to produce the compound:

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

In Reactions of unknown directionality:

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

This compound has been characterized as an alternative substrate of the following enzymes: γ-carotene 1,2-hydratase , all-trans-lycopene hydratase


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 Tue Jul 7, 2015, biocyc11.