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> Main
CHEBI:73906 - 18-acetoxy-1α-hydroxyvitamin D3
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ChEBI Ontology
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ChEBI Name
18-acetoxy-1α-hydroxyvitamin D3
ChEBI ID
CHEBI:73906
ChEBI ASCII Name
18-acetoxy-1alpha-hydroxyvitamin D3
Definition
A hydroxycalciol that is calciol with an additional hydroxy group at position C-1 and an acetoxy group at C-18.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C29H46O4
Net Charge
0
Average Mass
458.67310
Monoisotopic Mass
458.33961
InChI
InChI=1S/C29H46O4/c1-
19(2)
8-
6-
9-
20(3)
26-
13-
14-
27-
23(10-
7-
15-
29(26,27)
18-
33-
22(5)
30)
11-
12-
24-
16-
25(31)
17-
28(32)
21(24)
4/h11-
12,19-
20,25-
28,31-
32H,4,6-
10,13-
18H2,1-
3,5H3/b23-
11+,24-
12-
/t20-
,25-
,26-
,27+,28+,29+/m1/s1
InChIKey
PXVFRWYXTUOPCC-JORAJEIRSA-N
SMILES
[H][C@@](C)(CCCC(C)C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12COC(C)=O)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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
18-acetoxy-1α-hydroxyvitamin D3 (
CHEBI:73906
)
has role
metabolite (
CHEBI:25212
)
18-acetoxy-1α-hydroxyvitamin D3 (
CHEBI:73906
)
is a
D
3
vitamins (
CHEBI:73558
)
18-acetoxy-1α-hydroxyvitamin D3 (
CHEBI:73906
)
is a
diol (
CHEBI:23824
)
18-acetoxy-1α-hydroxyvitamin D3 (
CHEBI:73906
)
is a
hydroxycalciol (
CHEBI:47042
)
IUPAC Name
(1
S
,3
R
,5
Z
,7
E
)-1,3-dihydroxy-9,10-secocholesta-5,7,10-trien-18-yl acetate
Synonyms
Sources
(5
Z
,7
E
)-(1
S
,3
R
)-18-acetoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol
LIPID MAPS
18-acetoxy-1α-hydroxycholecalciferol
LIPID MAPS
Manual Xref
Database
LMST03020409
LIPID MAPS
View more database links
Registry Number
Type
Source
5835222
Reaxys Registry Number
Reaxys
Last Modified
25 September 2013