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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:47214 - (23
S
)-23,25-dihydroxycalciol
Main
ChEBI Ontology
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ChEBI Name
(23
S
)-23,25-dihydroxycalciol
ChEBI ID
CHEBI:47214
ChEBI ASCII Name
(23S)-23,25-dihydroxycalciol
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H44O3
Net Charge
0
Average Mass
416.63646
Monoisotopic Mass
416.32905
InChI
InChI=1S/C27H44O3/c1-
18-
8-
11-
22(28)
16-
21(18)
10-
9-
20-
7-
6-
14-
27(5)
24(12-
13-
25(20)
27)
19(2)
15-
23(29)
17-
26(3,4)
30/h9-
10,19,22-
25,28-
30H,1,6-
8,11-
17H2,2-
5H3/b20-
9+,21-
10-
/t19-
,22+,23+,24-
,25+,27-
/m1/s1
InChIKey
JVBPQHSRTHJMLM-WTHMTOCBSA-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)C[C@H](O)CC(C)(C)O
ChEBI Ontology
Outgoing
(23
S
)-23,25-dihydroxycalciol (
CHEBI:47214
)
is a
hydroxycalciol (
CHEBI:47042
)
IUPAC Name
(3
S
,5
Z
,7
E
,23
S
)-9,10-secocholesta-5,7,10-triene-3,23,25-triol
Synonyms
Sources
(23
S
)-23,25-dihydroxycalciol
UniProt
(23S)-23,25-dihydroxycholecalciferol
LIPID MAPS
(23S)-23,25-dihydroxyvitamin D
3
LIPID MAPS
23
S
,25(OH)
2
D
3
ChEBI
23
S
,25-dihydroxycholecalciferol
ChEBI
23
S
,25-dihydroxyvitamin D
3
ChEBI
Manual Xref
Database
LMST03020272
LIPID MAPS
View more database links
Registry Number
Type
Source
6772199
Beilstein Registry Number
Beilstein
Last Modified
28 September 2016