CHEBI:53215 - semi-β-carotenone

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ChEBI Name semi-β-carotenone
ChEBI ID CHEBI:53215
ChEBI ASCII Name semi-beta-carotenone
Definition A carotenone compound arising from oxidative cleavage of the 5',6'-double bond.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C40H56O2
Net Charge 0
Average Mass 568.87140
Monoisotopic Mass 568.42803
InChI InChI=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+
InChIKey PDBIWYOLPQXSTF-JLTXGRSLSA-N
SMILES CC(=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
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 Xref Database
HMDB0039017 HMDB
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Registry Numbers Types Sources
3185633 Beilstein Registry Number Beilstein
3185633 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10917914 PubMed citation Europe PMC
15940869 PubMed citation Europe PMC
16399003 PubMed citation Europe PMC
Last Modified
02 April 2014