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ChEBI
> Main
CHEBI:91228 - 2,2-dihydroxyspirilloxanthin
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ChEBI Ontology
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ChEBI Name
2,2-dihydroxyspirilloxanthin
ChEBI ID
CHEBI:91228
Definition
A carotenoid ether that is spirilloxanthin carrying two hydroxy groups, both at position 2.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
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Formula
C42H60O4
Net Charge
0
Average Mass
628.925
Monoisotopic Mass
628.44916
InChI
InChI=1S/C42H60O4/c1-
34(22-
15-
24-
36(3)
26-
17-
28-
38(5)
30-
19-
32-
40(7,8)
45-
11)
20-
13-
14-
21-
35(2)
23-
16-
25-
37(4)
27-
18-
29-
39(6)
31-
33-
42(43,44)
41(9,10)
46-
12/h13-
31,33,43-
44H,32H2,1-
12H3/b14-
13+,22-
15+,23-
16+,26-
17+,27-
18+,30-
19+,33-
31+,34-
20+,35-
21+,36-
24+,37-
25+,38-
28+,39-
29+
InChIKey
XUYXCIAFJRLHMN-GWSMOWMWSA-N
SMILES
C(=C(\C=C\CC(OC)
(C)
C)
/C)
/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C=C(/C=C/C(C(OC)
(C)
C)
(O)
O)
\C)
\C)
\C)
/C)
/C
ChEBI Ontology
Outgoing
2,2-dihydroxyspirilloxanthin (
CHEBI:91228
)
has functional parent
spirilloxanthin (
CHEBI:35328
)
2,2-dihydroxyspirilloxanthin (
CHEBI:91228
)
is a
carotenoid ether (
CHEBI:35329
)
2,2-dihydroxyspirilloxanthin (
CHEBI:91228
)
is a
carotenol (
CHEBI:23045
)
2,2-dihydroxyspirilloxanthin (
CHEBI:91228
)
is a
ketone hydrate (
CHEBI:63734
)
IUPAC Name
(3
E
,3'
E
)-
1,1'-
dimethoxy-
3,3',4,4'-
tetradehydro-
1,1',2,2'-
tetrahydro-
ψ,ψ-
caroten-
2,2-
diol
Synonyms
Sources
2,2-dihydroxyspirilloxanthin
UniProt
spirilloxanthin-2,2-diol
ChEBI
Manual Xref
Database
CPD-16862
MetaCyc
View more database links
Last Modified
11 April 2016