EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:73929 - 1α,25-dihydroxy-2β-(4-hydroxybutoxy)vitamin D3
| Formula | C31H52O5 |
| Net Charge | 0 |
| Average Mass | 504.752 |
| Monoisotopic Mass | 504.38147 |
| SMILES | [H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)[C@@H](OCCCCO)[C@H](O)C1=C |
| InChI | InChI=1S/C31H52O5/c1-21(10-8-16-30(3,4)35)25-14-15-26-23(11-9-17-31(25,26)5)12-13-24-20-27(33)29(28(34)22(24)2)36-19-7-6-18-32/h12-13,21,25-29,32-35H,2,6-11,14-20H2,1,3-5H3/b23-12+,24-13-/t21-,25-,26+,27-,28-,29-,31-/m1/s1 |
| InChIKey | WONSAWOUOLMNHF-FCDOGPSYSA-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) |
| 1α,25-dihydroxy-2β-(4-hydroxybutoxy)vitamin D3 (CHEBI:73929) has functional parent calcitriol (CHEBI:17823) |
| 1α,25-dihydroxy-2β-(4-hydroxybutoxy)vitamin D3 (CHEBI:73929) has role metabolite (CHEBI:25212) |
| 1α,25-dihydroxy-2β-(4-hydroxybutoxy)vitamin D3 (CHEBI:73929) is a D3 vitamins (CHEBI:73558) |
| 1α,25-dihydroxy-2β-(4-hydroxybutoxy)vitamin D3 (CHEBI:73929) is a hydroxycalciol (CHEBI:47042) |
| 1α,25-dihydroxy-2β-(4-hydroxybutoxy)vitamin D3 (CHEBI:73929) is a tetrol (CHEBI:33573) |
| IUPAC Name |
|---|
| (1R,2R,3R,5Z,7E)-2-(4-hydroxybutoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
| Manual Xrefs | Databases |
|---|---|
| LMST03020508 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7837341 | Reaxys |