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ChEBI
> Main
CHEBI:27448 - lutein 5,6-epoxide
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ChEBI Ontology
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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
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Formula
C40H56O3
Net Charge
0
Average Mass
584.87084
Monoisotopic Mass
584.42295
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
(3
R
,5
R
,6
S
,3'
R
,6'
R
)-
5,6-
epoxy-
5,6-
dihydro-
β,ε-
carotene-
3,3'-
diol
Synonym
Source
Lutein 5,6-epoxide
KEGG COMPOUND
Manual Xrefs
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
Types
Sources
17384157
PubMed citation
Europe PMC
19060099
PubMed citation
Europe PMC
20814906
PubMed citation
Europe PMC
Last Modified
28 July 2014