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CHEBI:27448 - lutein 5,6-epoxide

ChEBI IDCHEBI:27448
ChEBI Namelutein 5,6-epoxide
Stars
DefinitionAn epoxycarotenol derivative of lutein.
Secondary ChEBI IDsCHEBI:6577, CHEBI:25085
Last Modified28 July 2014
DownloadsMolfile
FormulaC40H56O3
Net Charge0
Average Mass584.885
Monoisotopic Mass584.42295
SMILESCC1=C[C@H](O)CC(C)(C)[C@H]1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
InChIInChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-25,34-36,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t34-,35-,36-,39+,40-/m0/s1
InChIKeyDYUUPIKEWLHQGQ-FJOIUHRLSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
lutein 5,6-epoxide (CHEBI:27448) has functional parent lutein (CHEBI:28838)
lutein 5,6-epoxide (CHEBI:27448) has role plant metabolite (CHEBI:76924)
lutein 5,6-epoxide (CHEBI:27448) is a epoxycarotenol (CHEBI:35307)
IUPAC Name 
(3R,5R,6S,3'R,6'R)-5,6-epoxy-5,6-dihydro-β,ε-carotene-3,3'-diol
Synonym  Source
Lutein 5,6-epoxideKEGG COMPOUND
Manual XrefsDatabases
C08602KEGG COMPOUND
LMPR01070275LIPID MAPS
HMDB0041590HMDB
C00003777KNApSAcK
Registry NumbersSources
Beilstein:101209Beilstein
Reaxys:101209Reaxys
CAS:28368-08-3KEGG COMPOUND
Citations