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ChEBI
> Main
CHEBI:3375 - capsanthin
Main
ChEBI Ontology
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ChEBI Name
capsanthin
ChEBI ID
CHEBI:3375
Stars
This entity has been manually annotated by the ChEBI Team.
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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-
23-
36-
33(5)
25-
34(41)
26-
38(36,6)
7)
15-
11-
12-
16-
30(2)
18-
14-
20-
32(4)
22-
24-
37(43)
40(10)
28-
35(42)
27-
39(40,8)
9/h11-
24,34-
35,41-
42H,25-
28H2,1-
10H3/b12-
11+,17-
13+,18-
14+,23-
21+,24-
22+,29-
15+,30-
16+,31-
19+,32-
20+/t34-
,35+,40+/m1/s1
InChIKey
VYIRVAXUEZSDNC-RDJLEWNRSA-N
SMILES
CC(\C=C\C=C(C)
\C=C\C(=O)
[C@]
1(C)
C[C@@H]
(O)
CC1(C)
C)
=C/C=C/C=C(C)
/C=C/C=C(C)
/C=C/C1=C(C)
C[C@@H]
(O)
CC1(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
capsanthin (
CHEBI:3375
)
has role
plant metabolite (
CHEBI:76924
)
capsanthin (
CHEBI:3375
)
is a
carotenone (
CHEBI:35310
)
Incoming
capsanthin 5,6-epoxide (
CHEBI:91165
)
has functional parent
capsanthin (
CHEBI:3375
)
IUPAC Name
(3
R
,3'
S
,5'
R
)-3,3'-dihydroxy-β,κ-caroten-6'-one
Synonyms
Sources
all
-
trans
-capsanthin
UniProt
Capsanthin
KEGG COMPOUND
Manual Xrefs
Databases
C00003763
KNApSAcK
C08584
KEGG COMPOUND
CAPSANTHIN
MetaCyc
HMDB0036590
HMDB
LMPR01070265
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
2493991
Reaxys Registry Number
Reaxys
465-42-9
CAS Registry Number
KEGG COMPOUND
465-42-9
CAS Registry Number
ChemIDplus
Citations
Types
Sources
19646292
PubMed citation
Europe PMC
22287739
PubMed citation
Europe PMC
23767359
PubMed citation
Europe PMC
Last Modified
13 April 2015