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CHEBI:64792 - 2-oxospirilloxanthin

ChEBI IDCHEBI:64792
ChEBI Name2-oxospirilloxanthin
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-2-one in which both hydroxyl hydrogens are substituted by methyl groups.
Last Modified28 July 2014
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC42H58O3
Net Charge0
Average Mass610.923
Monoisotopic Mass610.43860
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/C42H58O3/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/h13-32H,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+
InChIKeyAUIMFBMJZYMMRO-MRLRKSOKSA-N
ChEBI Ontology
Outgoing Relation(s)
2-oxospirilloxanthin (CHEBI:64792) is a carotenoid ether (CHEBI:35329)
2-oxospirilloxanthin (CHEBI:64792) is a carotenone (CHEBI:35310)
IUPAC Name 
(3E,3'E)-1,1'-dimethoxy-3,3',4,4'-tetradehydro-1,1',2,2'-tetrahydro-ψ,ψ-carotene-2-one
Synonyms  Source
2-ketospirilloxanthinSUBMITTER
KetospirilloxanthinLIPID MAPS
UniProt Name  Source
2-oxospirilloxanthinUniProt
Manual XrefsDatabases
CPD-12616MetaCyc
C15884KEGG COMPOUND
LMPR01070153LIPID MAPS
C00023013KNApSAcK
Citations