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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:47805 - 25-hydroxy-24-oxocalciol
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ChEBI Name
25-hydroxy-24-oxocalciol
ChEBI ID
CHEBI:47805
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H42O3
Net Charge
0
Average Mass
414.62058
Monoisotopic Mass
414.31340
InChI
InChI=1S/C27H42O3/c1-
18-
8-
12-
22(28)
17-
21(18)
11-
10-
20-
7-
6-
16-
27(5)
23(13-
14-
24(20)
27)
19(2)
9-
15-
25(29)
26(3,4)
30/h10-
11,19,22-
24,28,30H,1,6-
9,12-
17H2,2-
5H3/b20-
10+,21-
11-
/t19-
,22+,23-
,24+,27-
/m1/s1
InChIKey
DDZHNKIBJQESJA-AHMPPUFCSA-N
SMILES
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)CCC1=C)[C@H](C)CCC(=O)C(C)(C)O
ChEBI Ontology
Outgoing
25-hydroxy-24-oxocalciol (
CHEBI:47805
)
is a
hydroxycalciol (
CHEBI:47042
)
25-hydroxy-24-oxocalciol (
CHEBI:47805
)
is a
oxocalciol (
CHEBI:47806
)
25-hydroxy-24-oxocalciol (
CHEBI:47805
)
is a
tertiary α-hydroxy ketone (
CHEBI:139592
)
IUPAC Name
(3
S
,5
Z
,7
E
)-3,25-dihydroxy-9,10-secocholesta-5,7,10-trien-24-one
Synonyms
Sources
24-Keto-25-hydroxyvitamin D3
ChemIDplus
24-oxo-25(OH)D
3
ChEBI
24-oxo-25-hydroxyvitamin D
3
ChEBI
24-oxocalcidiol
ChEBI
25-hydroxy-24-oxocalciol
UniProt
25-Hydroxy-24-oxocholecalciferol
ChemIDplus
25-Hydroxy-24-oxovitamin D3
ChemIDplus
25-hydroxy-24-oxovitamin D
3
LIPID MAPS
Manual Xref
Database
LMST03020164
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
5628504
Beilstein Registry Number
Beilstein
74886-61-6
CAS Registry Number
ChemIDplus
Last Modified
06 February 2018