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CHEBI:35328 - spirilloxanthin

ChEBI IDCHEBI:35328
ChEBI Namespirilloxanthin
Stars
DefinitionA carotenoid ether that is (3E,3'E)-1,1'-dihydroxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotene in which both hydroxyl hydrogens are replaced by methyl groups.
Last Modified11 April 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC42H60O2
Net Charge0
Average Mass596.940
Monoisotopic Mass596.45933
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/CC(C)(C)OC
InChIInChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13+,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+
InChIKeyVAZQBTJCYODOSV-HZUCFJANSA-N
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
spirilloxanthin (CHEBI:35328) has role bacterial metabolite (CHEBI:76969)
spirilloxanthin (CHEBI:35328) is a carotenoid ether (CHEBI:35329)
Incoming Relation(s)
2-hydroxyspirilloxanthin (CHEBI:91227) has functional parent spirilloxanthin (CHEBI:35328)
2,2-dihydroxyspirilloxanthin (CHEBI:91228) has functional parent spirilloxanthin (CHEBI:35328)
2'-hydroxy-2-oxospirilloxanthin (CHEBI:91229) has functional parent spirilloxanthin (CHEBI:35328)
2',2'-dihydroxy-2-oxospirilloxanthin (CHEBI:91230) has functional parent spirilloxanthin (CHEBI:35328)
IUPAC Name 
(3E,3'E)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotene
Synonyms  Source
spirilloxanthinChemIDplus
rhodoviolascinChemIDplus
3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-1,1'-dimethoxy-ψ,ψ-caroteneChemIDplus
UniProt Name  Source
spirilloxanthinUniProt
Manual XrefsDatabases
LMPR01070122LIPID MAPS
C15881KEGG COMPOUND
CPD-12615MetaCyc
C00022893KNApSAcK
Registry NumbersSources
Reaxys:1717970Reaxys
CAS:34255-08-8ChemIDplus
CAS:34255-08-8KEGG COMPOUND
Citations