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CHEBI:91227 - 2-hydroxyspirilloxanthin

ChEBI IDCHEBI:91227
ChEBI Name2-hydroxyspirilloxanthin
Stars
DefinitionA carotenoid ether that is spirilloxanthin substituted at position 2 by a hydroxy group.
Last Modified11 April 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC42H60O3
Net Charge0
Average Mass612.939
Monoisotopic Mass612.45425
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)C(C)(C)OC
InChIInChI=1S/C42H60O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-32,40,43H,33H2,1-12H3/b14-13+,22-15+,23-16+,26-17+,27-18+,30-19+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+
InChIKeyAVHQKPCIRVFOIC-MRLRKSOKSA-N
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyspirilloxanthin (CHEBI:91227) has functional parent spirilloxanthin (CHEBI:35328)
2-hydroxyspirilloxanthin (CHEBI:91227) is a carotenoid ether (CHEBI:35329)
2-hydroxyspirilloxanthin (CHEBI:91227) is a carotenol (CHEBI:23045)
IUPAC Name 
(3E,3'E)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-caroten-2-ol
Synonym  Source
spirilloxanthin-2-olChEBI
UniProt Name  Source
2-hydroxyspirilloxanthinUniProt
Manual XrefsDatabases
CPD-16861MetaCyc