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CHEBI:91221 - 2-hydroxyspheroidene

ChEBI IDCHEBI:91221
ChEBI Name2-hydroxyspheroidene
Stars
DefinitionA carotenoid ether that is spheroidene substituted at position 2 by a hydroxy group.
Last Modified11 April 2016
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC41H60O2
Net Charge0
Average Mass584.929
Monoisotopic Mass584.45933
SMILESCOC(C)(C)C(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/C41H60O2/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)31-32-40(42)41(9,10)43-11/h12-13,15-16,18-21,23-27,29-32,40,42H,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+
InChIKeyIYSJCVOSCTVRGJ-FZFXUSNISA-N
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyspheroidene (CHEBI:91221) has functional parent spheroidene (CHEBI:35330)
2-hydroxyspheroidene (CHEBI:91221) is a carotenoid ether (CHEBI:35329)
2-hydroxyspheroidene (CHEBI:91221) is a carotenol (CHEBI:23045)
IUPAC Name 
(3E)-1-methoxy-3,4-didehydro-1,2,7',8'-tetrahydro-ψ,ψ-caroten-2-ol
Synonym  Source
spheroiden-2-olMetaCyc
UniProt Name  Source
2-hydroxyspheroideneUniProt
Manual XrefsDatabases
CPD-16859MetaCyc
Registry NumbersSources
Reaxys:1717935Reaxys