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ChEBI
> Main
CHEBI:91306 - (20
S
,23)-dihydroxyvitamin D
3
Main
ChEBI Ontology
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ChEBI Name
(20
S
,23)-dihydroxyvitamin D
3
ChEBI ID
CHEBI:91306
ChEBI ASCII Name
(20S,23)-dihydroxyvitamin D3
Definition
A hydroxycalciol that consists of vitamin D
3
(calciol) carrying additional hydroxy groups at positions 20 (with
S
-configuration) and 23.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nevila Nouspikel
Supplier Information
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Formula
C27H44O3
Net Charge
0
Average Mass
416.637
Monoisotopic Mass
416.32905
InChI
InChI=1S/C27H44O3/c1-
18(2)
15-
23(29)
17-
27(5,30)
25-
13-
12-
24-
20(7-
6-
14-
26(24,25)
4)
9-
10-
21-
16-
22(28)
11-
8-
19(21)
3/h9-
10,18,22-
25,28-
30H,3,6-
8,11-
17H2,1-
2,4-
5H3/b20-
9+,21-
10-
/t22-
,23?,24-
,25-
,26-
,27-
/m0/s1
InChIKey
PFGAVEWICNHWDW-OZCLJXQISA-N
SMILES
C1[C@]2([C@](/C(=C/C=C/3\C(CC[C@@H](C3)O)=C)/CC1)(CC[C@@]2([C@](C)(CC(CC(C)C)O)O)[H])[H])C
Metabolite of Species
Details
Rattus norvegicus
(NCBI:txid10116)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (
Rattus norvegicus
).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
fat-soluble vitamin (role)
Any vitamin that dissolves in fats and are stored in body tissues. Unlike the water-soluble vitamins, they are stored in the body for long periods of time and generally pose a greater risk for toxicity when consumed in excess.
(via
vitamin D
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(20
S
,23)-dihydroxyvitamin D
3
(
CHEBI:91306
)
has role
human metabolite (
CHEBI:77746
)
(20
S
,23)-dihydroxyvitamin D
3
(
CHEBI:91306
)
has role
rat metabolite (
CHEBI:86264
)
(20
S
,23)-dihydroxyvitamin D
3
(
CHEBI:91306
)
is a
D
3
vitamins (
CHEBI:73558
)
(20
S
,23)-dihydroxyvitamin D
3
(
CHEBI:91306
)
is a
hydroxycalciol (
CHEBI:47042
)
(20
S
,23)-dihydroxyvitamin D
3
(
CHEBI:91306
)
is a
triol (
CHEBI:27136
)
IUPAC Name
(3
S
,5
Z
,7
E
)-9,10-secocholesta-5,7,10-triene-3,20,23-triol
Synonyms
Sources
20
S
,23(OH)
2
D
3
SUBMITTER
20
S
,23-dihydroxycholecalciferol
UniProt
20
S
,23-dihydroxyvitamin D
3
ChEBI
Registry Number
Type
Source
20673696
Reaxys Registry Number
Reaxys
Citation
Type
Source
25727742
PubMed citation
SUBMITTER
Last Modified
17 May 2016