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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:91008 - 3-
cis
-hydroxy-β,ε-caroten-3'-one
Main
ChEBI Ontology
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ChEBI Name
3-
cis
-hydroxy-β,ε-caroten-3'-one
ChEBI ID
CHEBI:91008
ChEBI ASCII Name
3-cis-hydroxy-beta,epsilon-caroten-3'-one
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:132920
Supplier Information
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Formula
C40H54O2
Net Charge
0
Average Mass
566.857
Monoisotopic Mass
566.41238
InChI
InChI=1S/C40H54O2/c1-
29(17-
13-
19-
31(3)
21-
23-
37-
33(5)
25-
35(41)
27-
39(37,7)
8)
15-
11-
12-
16-
30(2)
18-
14-
20-
32(4)
22-
24-
38-
34(6)
26-
36(42)
28-
40(38,9)
10/h11-
25,36-
37,42H,26-
28H2,1-
10H3/b12-
11-
,17-
13+,18-
14+,23-
21+,24-
22+,29-
15-
,30-
16+,31-
19+,32-
20+/t36-
,37+/m1/s1
InChIKey
OABQIJAIRYEICK-UEJMDPRYSA-N
SMILES
C1(C[C@@H]
(CC(=C1/C=C/C(=C/C=C/C(=C/C=C\C=C(/C=C/C=C(/C=C/[C@@H]
2C(C)
(CC(C=C2C)
=O)
C)
\C)
\C)
/C)
/C)
C)
O)
(C)
C
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
MetaboLights Study
ChEBI Ontology
Outgoing
3-
cis
-hydroxy-β,ε-caroten-3'-one (
CHEBI:91008
)
is a
carotenone (
CHEBI:35310
)
3-
cis
-hydroxy-β,ε-caroten-3'-one (
CHEBI:91008
)
is a
enone (
CHEBI:51689
)
3-
cis
-hydroxy-β,ε-caroten-3'-one (
CHEBI:91008
)
is a
secondary alcohol (
CHEBI:35681
)
IUPAC Name
(3'
R
,6
R
,13
cis
,15
cis
)-
3'-
hydroxy-
4,5-
didehydro-
5,6-
dihydro-
β,β-
caroten-
3-
one
Manual Xref
Database
HMDB0002890
HMDB
View more database links
Registry Number
Type
Source
143167-27-5
CAS Registry Number
HMDB
Last Modified
30 January 2019