CHEBI:27448 - lutein 5,6-epoxide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name lutein 5,6-epoxide
ChEBI ID CHEBI:27448
Definition An epoxycarotenol derivative of lutein.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:6577, CHEBI:25085
Supplier Information
Download Molfile XML SDF
Formula C40H56O3
Net Charge 0
Average Mass 584.87084
Monoisotopic Mass 584.423
InChI InChI=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
InChIKey DYUUPIKEWLHQGQ-FJOIUHRLSA-N
SMILES CC(\C=C\C=C(C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(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
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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-epoxide KEGG COMPOUND
Database Links Databases
C00003777 KNApSAcK
C08602 KEGG COMPOUND
HMDB0041590 HMDB
LMPR01070275 LIPID MAPS
View more database links
Registry Numbers Types Sources
101209 Beilstein Registry Number Beilstein
101209 Reaxys Registry Number Reaxys
28368-08-3 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
17384157 PubMed citation Europe PMC
19060099 PubMed citation Europe PMC
20814906 PubMed citation Europe PMC
Last Modified
28 July 2014