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CHEBI:62505 - demethylspheroidene

ChEBI IDCHEBI:62505
ChEBI Namedemethylspheroidene
Stars
DefinitionThe carotenol formed by demethylation of the carotenoid ether spheroidene.
Last Modified18 February 2019
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC40H58O
Net Charge0
Average Mass554.903
Monoisotopic Mass554.44877
SMILESCC(C)=CCC/C(C)=C/CC/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)O
InChIInChI=1S/C40H58O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-12,14-15,17-21,23-27,29-31,41H,13,16,22,28,32H2,1-10H3/b12-11+,23-14+,24-15+,29-17+,31-18+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+
InChIKeyIKOGZSUEGBDVQU-XZXJNJSQSA-N
ChEBI Ontology
Outgoing Relation(s)
demethylspheroidene (CHEBI:62505) is a carotenol (CHEBI:23045)
Incoming Relation(s)
1'-hydroxy-demethylspheroidene (CHEBI:143013) has functional parent demethylspheroidene (CHEBI:62505)
IUPAC Name 
(3E)-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-caroten-1-ol
Synonym  Source
(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,26,30-dodecaen-2-olIUPAC
UniProt Name  Source
demethylspheroideneUniProt
Manual XrefsDatabases
C00000923KNApSAcK
C15898KEGG COMPOUND
Registry NumbersSources
Reaxys:1897157Reaxys
Citations