EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91223 - 2,2-dihydroxyspheroidene

ChEBI IDCHEBI:91223
ChEBI Name2,2-dihydroxyspheroidene
Stars
DefinitionA carotenoid ether that is spheroidene carrying two hydroxy groups, both at position 2.
Last Modified11 April 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC41H60O3
Net Charge0
Average Mass600.928
Monoisotopic Mass600.45425
SMILESCOC(C)(C)C(O)(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/C41H60O3/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)31-32-41(42,43)40(9,10)44-11/h12-13,15-16,18-21,23-27,29-32,42-43H,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+
InChIKeyYCYFTLOJTFQQOD-FZFXUSNISA-N
ChEBI Ontology
Outgoing Relation(s)
2,2-dihydroxyspheroidene (CHEBI:91223) has functional parent spheroidene (CHEBI:35330)
2,2-dihydroxyspheroidene (CHEBI:91223) is a carotenoid ether (CHEBI:35329)
2,2-dihydroxyspheroidene (CHEBI:91223) is a carotenol (CHEBI:23045)
2,2-dihydroxyspheroidene (CHEBI:91223) is a ketone hydrate (CHEBI:63734)
IUPAC Name 
(3E)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-caroten-2,2-diol
UniProt Name  Source
2,2-dihydroxyspheroideneUniProt
Manual XrefsDatabases
CPD-16860MetaCyc