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CHEBI:91228 - 2,2-dihydroxyspirilloxanthin

ChEBI IDCHEBI:91228
ChEBI Name2,2-dihydroxyspirilloxanthin
Stars
DefinitionA carotenoid ether that is spirilloxanthin carrying two hydroxy groups, both at position 2.
Last Modified11 April 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC42H60O4
Net Charge0
Average Mass628.938
Monoisotopic Mass628.44916
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)/C=C/C=C(C)/C=C/C(O)(O)C(C)(C)OC
InChIInChI=1S/C42H60O4/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-32-40(7,8)45-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-33-42(43,44)41(9,10)46-12/h13-31,33,43-44H,32H2,1-12H3/b14-13+,22-15+,23-16+,26-17+,27-18+,30-19+,33-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+
InChIKeyXUYXCIAFJRLHMN-GWSMOWMWSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2-dihydroxyspirilloxanthin (CHEBI:91228) has functional parent spirilloxanthin (CHEBI:35328)
2,2-dihydroxyspirilloxanthin (CHEBI:91228) is a carotenoid ether (CHEBI:35329)
2,2-dihydroxyspirilloxanthin (CHEBI:91228) is a carotenol (CHEBI:23045)
2,2-dihydroxyspirilloxanthin (CHEBI:91228) is a ketone hydrate (CHEBI:63734)
IUPAC Name 
(3E,3'E)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-caroten-2,2-diol
Synonym  Source
spirilloxanthin-2,2-diolChEBI
UniProt Name  Source
2,2-dihydroxyspirilloxanthinUniProt
Manual XrefsDatabases
CPD-16862MetaCyc