EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:48736 - 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid
| Formula | C27H46O5 |
| Net Charge | 0 |
| Average Mass | 450.660 |
| Monoisotopic Mass | 450.33452 |
| SMILES | [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@]([H])(CC[C@]3([H])[C@H](C)CCC(O)C(C)C(=O)O)[C@]1([H])[C@H](O)C2 |
| InChI | InChI=1S/C27H46O5/c1-15(5-8-22(29)16(2)25(31)32)19-6-7-20-24-21(10-12-27(19,20)4)26(3)11-9-18(28)13-17(26)14-23(24)30/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18-,19-,20+,21+,22?,23-,24+,26+,27-/m1/s1 |
| InChIKey | MCVJTZAENNGXTM-OYCVBOJLSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | bile acid metabolite Metabolites of bile acids, four-ringed steroid acids formed along the cholesterol degradation pathway. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) has parent hydride 5β-cholestane (CHEBI:35517) |
| 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) has role bile acid metabolite (CHEBI:48887) |
| 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) is a 24-hydroxy steroid (CHEBI:36865) |
| 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) is a 3α-hydroxy steroid (CHEBI:36835) |
| 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) is a 7α-hydroxy steroid (CHEBI:36843) |
| 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) is a hydroxy monocarboxylic acid (CHEBI:35868) |
| Incoming Relation(s) |
| 3α,7α,24-trihydroxy-5β-cholestan-26-oyl-CoA (CHEBI:27403) has functional parent 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid (CHEBI:48736) |
| IUPAC Name |
|---|
| 3α,7α,24-trihydroxy-5β-cholestan-26-oic acid |
| Synonym | Source |
|---|---|
| 3α,7α,24-trihydroxy-5β-cholestanoic acid | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| LMST04030062 | LIPID MAPS |