CHEBI:45657 - 13-cis-spheroidene

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ChEBI Name 13-cis-spheroidene
ChEBI ID CHEBI:45657
ChEBI ASCII Name 13-cis-spheroidene
Definition The cartenoid ether that is the methyl ether of (3E,13cis)-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-caroten-1-ol
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C41H60O
Net Charge 0
Average Mass 568.91450
Monoisotopic Mass 568.46442
InChI InChI=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+
InChIKey FJOCMTHZSURUFA-KXCOHNEYSA-N
SMILES COC(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
ChEBI Ontology
Outgoing 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
SPHEROIDENE PDBeChem
Manual Xref Database
SPO PDBeChem
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Last Modified
04 July 2011