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CHEBI:84145 - 3β-hydroxycholest-5-en-26-al
| Formula | C27H44O2 |
| Net Charge | 0 |
| Average Mass | 400.647 |
| Monoisotopic Mass | 400.33413 |
| SMILES | [H]C(=O)C(C)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C |
| InChI | InChI=1S/C27H44O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t18?,19-,21+,22+,23-,24+,25+,26+,27-/m1/s1 |
| InChIKey | JUGXQEJPWDYOJV-CCDZVGGQSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mycobacterium tuberculosis (ncbitaxon:1773) | - | PubMed (20843794) |
| Roles Classification |
|---|
| Biological Role: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3β-hydroxycholest-5-en-26-al (CHEBI:84145) has functional parent cholesterol (CHEBI:16113) |
| 3β-hydroxycholest-5-en-26-al (CHEBI:84145) has role bacterial metabolite (CHEBI:76969) |
| 3β-hydroxycholest-5-en-26-al (CHEBI:84145) is a 26-oxo steroid (CHEBI:36884) |
| 3β-hydroxycholest-5-en-26-al (CHEBI:84145) is a 3β-hydroxy-Δ5-steroid (CHEBI:1722) |
| 3β-hydroxycholest-5-en-26-al (CHEBI:84145) is a 3β-sterol (CHEBI:35348) |
| 3β-hydroxycholest-5-en-26-al (CHEBI:84145) is a cholestanoid (CHEBI:50401) |
| 3β-hydroxycholest-5-en-26-al (CHEBI:84145) is a oxysterol (CHEBI:53030) |
| 3β-hydroxycholest-5-en-26-al (CHEBI:84145) is a steroid aldehyde (CHEBI:131565) |
| Incoming Relation(s) |
| (25R)-3β-hydroxycholest-5-en-26-al (CHEBI:86096) is a 3β-hydroxycholest-5-en-26-al (CHEBI:84145) |
| IUPAC Name |
|---|
| (3β)-hydroxycholest-5-en-26-al |
| UniProt Name | Source |
|---|---|
| (3β)-hydroxy-cholest-5-en-26-al | UniProt |
| Registry Numbers | Sources |
|---|---|
| Reaxys:8008227 | Reaxys |
| Citations |
|---|