CHEBI:62480 - spheroiden-2-one

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ChEBI Name spheroiden-2-one ChEBI ID CHEBI:62480 Definition The carotenone that is the 2-oxo derivative of (3E)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-carotene. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C41H58O2 Net Charge 0 Average Mass 582.89800 Monoisotopic Mass 582.44368 InChI InChI=1S/C41H58O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32H,14,17,22,28H2,1-11H3/b13-12+,23-15+,24-16+,29-18+,32-31+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+ InChIKey ZQFURSYWJPLAJR-FZFXUSNISA-N SMILES COC(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\C=C(/C)CC\C=C(/C)CCC=C(C)C Roles Classification Biological Role(s): bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. View more via ChEBI Ontology ChEBI Ontology Outgoing spheroiden-2-one (CHEBI:62480) has role bacterial metabolite (CHEBI:76969) spheroiden-2-one (CHEBI:62480) is a carotenone (CHEBI:35310) IUPAC Name (3E)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-caroten-2-one Synonyms Sources (4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-3-one IUPAC 3,4-didehydro-1,2,7',8-tetrahydro-1-methoxy-2-oxo-ψ,ψ-carotene ChemIDplus all-trans-spheroiden-2-one ChEBI spheroiden-2-one UniProt Spheroidenone ChemIDplus Manual Xrefs Databases C00000914 KNApSAcK C15903 KEGG COMPOUND CPD-11466 MetaCyc LMPR01070121 LIPID MAPS View more database links Registry Numbers Types Sources 13836-70-9 CAS Registry Number ChemIDplus 1917670 Reaxys Registry Number Reaxys Citations Types Sources 19136077 PubMed citation Europe PMC 20851979 PubMed citation Europe PMC 24492676 PubMed citation Europe PMC 9038350 PubMed citation Europe PMC Last Modified 28 July 2014