CHEBI:73917 - 18-acetoxy-1α,25-dihydroxyvitamin D3

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ChEBI Name 18-acetoxy-1α,25-dihydroxyvitamin D3
ChEBI ID CHEBI:73917
ChEBI ASCII Name 18-acetoxy-1alpha,25-dihydroxyvitamin D3
Definition A hydroxycalciol that is calcitriol with an acetoxy group at C-18.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H46O5
Net Charge 0
Average Mass 474.67250
Monoisotopic Mass 474.33452
InChI InChI=1S/C29H46O5/c1-19(8-6-14-28(4,5)33)25-12-13-26-22(9-7-15-29(25,26)18-34-21(3)30)10-11-23-16-24(31)17-27(32)20(23)2/h10-11,19,24-27,31-33H,2,6-9,12-18H2,1,3-5H3/b22-10+,23-11-/t19-,24-,25-,26+,27+,29+/m1/s1
InChIKey WWUMIPQKNPFIAD-AMXJZHMKSA-N
SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12COC(C)=O)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)CCCC(C)(C)O
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,25-dihydroxyvitamin D3 (CHEBI:73917) has functional parent calcitriol (CHEBI:17823)
18-acetoxy-1α,25-dihydroxyvitamin D3 (CHEBI:73917) has role metabolite (CHEBI:25212)
18-acetoxy-1α,25-dihydroxyvitamin D3 (CHEBI:73917) is a D3 vitamins (CHEBI:73558)
18-acetoxy-1α,25-dihydroxyvitamin D3 (CHEBI:73917) is a hydroxycalciol (CHEBI:47042)
18-acetoxy-1α,25-dihydroxyvitamin D3 (CHEBI:73917) is a triol (CHEBI:27136)
IUPAC Name
(1S,3R,5Z,7E)-1,3,25-trihydroxy-9,10-secocholesta-5,7,10-trien-18-yl acetate
Synonyms Sources
(5Z,7E)-(1S,3R)-18-acetoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol LIPID MAPS
8-acetoxy-1α,25-dihydroxycholecalciferol LIPID MAPS
Manual Xref Database
LMST03020414 LIPID MAPS
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Registry Number Type Source
5836466 Reaxys Registry Number Reaxys
Last Modified
25 September 2013