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CHEBI:73917 - 18-acetoxy-1α,25-dihydroxyvitamin D3
| Formula | C29H46O5 |
| Net Charge | 0 |
| Average Mass | 474.682 |
| Monoisotopic Mass | 474.33452 |
| SMILES | [H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(COC(C)=O)CCC/C2=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |
| 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 |
| Roles Classification |
|---|
| Biological Roles: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 | Source |
|---|---|
| (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 Xrefs | Databases |
|---|---|
| LMST03020414 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5836466 | Reaxys |