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CHEBI:53215 - semi-β-carotenone

ChEBI IDCHEBI:53215
ChEBI Namesemi-β-carotenone
Stars
ASCII Namesemi-beta-carotenone
DefinitionA carotenone compound arising from oxidative cleavage of the 5',6'-double bond.
Last Modified2 April 2014
SubmitterSteve
DownloadsMolfile
FormulaC40H56O2
Net Charge0
Average Mass568.886
Monoisotopic Mass568.42803
SMILESCC(=O)CCCC(C)(C)C(=O)/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/C40H56O2/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38(42)40(9,10)30-16-24-36(6)41/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3/b12-11+,19-13+,20-14+,27-25+,28-26+,31-17+,32-18+,33-21+,34-22+
InChIKeyPDBIWYOLPQXSTF-JLTXGRSLSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
semi-β-carotenone (CHEBI:53215) has role plant metabolite (CHEBI:76924)
semi-β-carotenone (CHEBI:53215) is a carotenone (CHEBI:35310)
semi-β-carotenone (CHEBI:53215) is a diketone (CHEBI:46640)
semi-β-carotenone (CHEBI:53215) is a enone (CHEBI:51689)
semi-β-carotenone (CHEBI:53215) is a methyl ketone (CHEBI:51867)
IUPAC Name 
(8E,10E,12E,14E,16E,18E,20E,22E,24E)-6,6,10,14,19,23-hexamethyl-25-(2,6,6-trimethylcyclohex-1-en-1-yl)pentacosa-8,10,12,14,16,18,20,22,24-nonaene-2,7-dione
Manual XrefsDatabases
HMDB0039017HMDB
Registry NumbersSources
Reaxys:3185633Reaxys
Citations