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CHEBI:17813 - 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol
| Formula | C29H46O |
| Net Charge | 0 |
| Average Mass | 410.686 |
| Monoisotopic Mass | 410.35487 |
| SMILES | [H][C@@]12CCC3=C(CC[C@@]4(C)C3=CC[C@]4([H])[C@H](C)CCC=C(C)C)[C@@]1(C)CC[C@H](O)C2(C)C |
| InChI | InChI=1S/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3/t20-,22-,25+,26+,28-,29-/m1/s1 |
| InChIKey | LFQXEZVYNCBVDO-PBJLWWPKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | DOI (10.1038/nbt.2488) | |
| Saccharomyces cerevisiae (ncbitaxon:4932) | - | PubMed (24678285) | Source: yeast.sf.net |
| Mus musculus (ncbitaxon:10090) | - | PubMed (19425150) | Source: BioModels - MODEL1507180067 |
| Roles Classification |
|---|
| Biological Roles: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol (CHEBI:17813) has parent hydride 5α-cholestane (CHEBI:35515) |
| 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol (CHEBI:17813) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) |
| 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol (CHEBI:17813) has role human metabolite (CHEBI:77746) |
| 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol (CHEBI:17813) has role mouse metabolite (CHEBI:75771) |
| 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol (CHEBI:17813) is a 3β-sterol (CHEBI:35348) |
| 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol (CHEBI:17813) is a Δ14 steroid (CHEBI:138031) |
| IUPAC Name |
|---|
| 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol |
| Synonyms | Source |
|---|---|
| 4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol | KEGG COMPOUND |
| 4,4-Dimethylcholesta-8,14,24-trienol | ChemIDplus |
| 4,4-Dimechol-8,14,24-trienol | ChemIDplus |
| 4,4-dimethylcholesta-8(9),14,24-trien-3β-ol | ChEBI |
| UniProt Name | Source |
|---|---|
| 4,4-dimethyl-5α-cholesta-8,14,24-trien-3β-ol | UniProt |
| Manual Xrefs | Databases |
|---|---|
| C11455 | KEGG COMPOUND |
| LMST01010149 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:64284-64-6 | ChemIDplus |
| CAS:64284-64-6 | KEGG COMPOUND |