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CHEBI:62480 - spheroiden-2-one

Default Structure
ChEBI IDCHEBI:62480
ChEBI Namespheroiden-2-one
Stars
DefinitionThe carotenone that is the 2-oxo derivative of (3E)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-carotene.
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC41H58O2
Net Charge0
Average Mass582.913
Monoisotopic Mass582.44368
SMILESCOC(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
InChIInChI=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+
InChIKeyZQFURSYWJPLAJR-FZFXUSNISA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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  Source
3,4-didehydro-1,2,7',8-tetrahydro-1-methoxy-2-oxo-ψ,ψ-caroteneChemIDplus
(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-oneIUPAC
all-trans-spheroiden-2-oneChEBI
SpheroidenoneChemIDplus
UniProt Name  Source
spheroiden-2-oneUniProt
Manual XrefsDatabases
C00000914KNApSAcK
C15903KEGG COMPOUND
CPD-11466MetaCyc
LMPR01070121LIPID MAPS
Registry NumbersSources
Reaxys:1917670Reaxys
CAS:13836-70-9ChemIDplus
CAS:13836-70-9KEGG COMPOUND
Citations