EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C28H42O5 |
| Net Charge | 0 |
| Average Mass | 458.639 |
| Monoisotopic Mass | 458.30322 |
| SMILES | CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC(=O)[C@]2(O)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@]12O[C@H]2[C@H]3O |
| InChI | InChI=1S/C28H42O5/c1-15(2)16(3)7-8-17(4)20-13-21(30)28(32)22-19(10-12-26(20,28)6)25(5)11-9-18(29)14-27(25)24(33-27)23(22)31/h7-8,15-18,20,23-24,29,31-32H,9-14H2,1-6H3/b8-7+/t16-,17+,18-,20+,23-,24-,25+,26+,27-,28-/m0/s1 |
| InChIKey | REHUITFAGUCWCE-NYQRUVNGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | - | MetaboLights (MTBLS9087) |
| Roles Classification |
|---|
| Biological Roles: | Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). fungal metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (22E,24R)-5alpha,6alpha-epoxy3beta,7alpha,14beta-trihydroxy-ergosta-8,22,dien-15-one (CHEBI:231322) is a ergosterol (CHEBI:16933) |
| Synonym | Source |
|---|---|
| (22E,24R)-5alpha,6alpha-epoxy3beta,7alpha,14beta-trihydroxy-ergosta-8,22,dien-15-one | SUBMITTER |
| Manual Xrefs | Databases |
|---|---|
| LMST01031185 | LIPID MAPS |