MetaCyc Compound: 4'-apo-β-carotenal

Synonyms: β-apo-4'-carotenal, 4'-apo-β,ψ-caroten-4'-al, 4'-apo-β,ψ-carotenal

Superclasses: a lipidan isoprenoida terpenoida tetraterpenoida carotenoidan apocarotenoid
a secondary metabolitea terpenoida tetraterpenoida carotenoidan apocarotenoid

Citations: [Estrada08]

Chemical Formula: C35H46O

Molecular Weight: 482.75 Daltons

Monoisotopic Molecular Weight: 482.3548660987 Daltons

4'-apo-β-carotenal compound structure


InChI: InChI=1S/C35H46O/c1-28(17-11-19-30(3)20-13-22-32(5)27-36)15-9-10-16-29(2)18-12-21-31(4)24-25-34-33(6)23-14-26-35(34,7)8/h9-13,15-22,24-25,27H,14,23,26H2,1-8H3/b10-9+,17-11+,18-12+,20-13+,25-24+,28-15+,29-16+,30-19+,31-21+,32-22+


Unification Links: ChEBI:53157, KEGG:C19892, PubChem:44224033

Standard Gibbs Free Energy of Change Formation (ΔfG in kcal/mol): 650.3316Inferred by computational analysis [Latendresse13]

Reactions known to consume the compound:

neurosporaxanthin biosynthesis :
4'-apo-β-carotenal + NAD+ + H2O → neurosporaxanthin + NADH + 2 H+

Reactions known to produce the compound:

neurosporaxanthin biosynthesis :
torulene + oxygen → 4'-apo-β-carotenal + 3-methyl-2-butenal

This compound has been characterized as an alternative substrate of the following enzymes: 8'-apo-carotenoid 13,14-dioxygenase, β-carotene 15,15'-dioxygenase

Created 16-Dec-2010 by Pujar A, Boyce Thompson Institute


Estrada08: Estrada AF, Maier D, Scherzinger D, Avalos J, Al-Babili S (2008). "Novel apocarotenoid intermediates in Neurospora crassa mutants imply a new biosynthetic reaction sequence leading to neurosporaxanthin formation." Fungal Genet Biol 45(11);1497-505. PMID: 18812228

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

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Please cite the following article in publications resulting from the use of MetaCyc: Caspi et al, Nucleic Acids Research 42:D459-D471 2014
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