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CHEBI:53157 - 4'-apo-β-carotenal

Default Structure
ChEBI IDCHEBI:53157
ChEBI Name4'-apo-β-carotenal
Stars
ASCII Name4'-apo-beta-carotenal
DefinitionAn apo carotenoid C35 terpenoid compound arising from oxidative degradation of the β,β-carotene skeleton at the 4'-position.
Last Modified23 October 2012
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC35H46O
Net Charge0
Average Mass482.752
Monoisotopic Mass482.35487
SMILES[H]C(=O)/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=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+
InChIKeyFTQSFEZUHZHOAT-BRZOAGJPSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-apo-β-carotenal (CHEBI:53157) is a apo carotenoid C35 terpenoid (CHEBI:53185)
4'-apo-β-carotenal (CHEBI:53157) is a enal (CHEBI:51688)
IUPAC Name 
4'-apo-β-caroten-4'-al
Synonyms  Source
4'-apo-β,ψ-caroten-4'-alChEBI
β-apo-4'-carotenalChEBI
UniProt Name  Source
4'-apo-β-carotenalUniProt
Manual XrefsDatabases
CPD-12935MetaCyc
Registry NumbersSources
Beilstein:2023269Beilstein
Citations