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CHEBI:45657 - 13-cis-spheroidene

ChEBI IDCHEBI:45657
ChEBI Name13-cis-spheroidene
Stars
ASCII Name13-cis-spheroidene
DefinitionThe cartenoid ether that is the methyl ether of (3E,13cis)-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-caroten-1-ol
Last Modified4 July 2011
DownloadsMolfile
FormulaC41H60O
Net Charge0
Average Mass568.930
Monoisotopic Mass568.46442
SMILESCOC(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\C=C(/C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22-,37-26+,38-27+,39-28+,40-31+
InChIKeyFJOCMTHZSURUFA-KXCOHNEYSA-N
ChEBI Ontology
Outgoing Relation(s)
13-cis-spheroidene (CHEBI:45657) is a carotenoid ether (CHEBI:35329)
IUPAC Name 
(3E,13cis)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-carotene
Synonym  Source
SPHEROIDENEPDBeChem
Manual XrefsDatabases
SPOPDBeChem