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CHEBI:27428 - 3α,7α-dihydroxy-5β-cholestan-26-al
| Formula | C27H46O3 |
| Net Charge | 0 |
| Average Mass | 418.662 |
| Monoisotopic Mass | 418.34470 |
| SMILES | [H]C(=O)C(C)CCC[C@@H](C)[C@@]1([H])CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]3(C)CC[C@@H](O)C[C@@]3([H])C[C@@H](O)[C@]12[H] |
| InChI | InChI=1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17?,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1 |
| InChIKey | YWGOKHMOJTZGBN-UGMUFZQESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3α,7α-dihydroxy-5β-cholestan-26-al (CHEBI:27428) has parent hydride 5β-cholestane (CHEBI:35517) |
| 3α,7α-dihydroxy-5β-cholestan-26-al (CHEBI:27428) has role human metabolite (CHEBI:77746) |
| 3α,7α-dihydroxy-5β-cholestan-26-al (CHEBI:27428) has role mouse metabolite (CHEBI:75771) |
| 3α,7α-dihydroxy-5β-cholestan-26-al (CHEBI:27428) is a 26-oxo steroid (CHEBI:36884) |
| 3α,7α-dihydroxy-5β-cholestan-26-al (CHEBI:27428) is a 3α-hydroxy steroid (CHEBI:36835) |
| 3α,7α-dihydroxy-5β-cholestan-26-al (CHEBI:27428) is a 7α-hydroxy steroid (CHEBI:36843) |
| 3α,7α-dihydroxy-5β-cholestan-26-al (CHEBI:27428) is a steroid aldehyde (CHEBI:131565) |
| IUPAC Name |
|---|
| 3α,7α-dihydroxy-5β-cholestan-26-al |
| Synonyms | Source |
|---|---|
| 3alpha,7alpha-Dihydroxy-5beta-cholestan-26-al | KEGG COMPOUND |
| 3alpha,7alpha-dihydroxy-5beta-cholestan-26-al | ChEBI |