EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:173028 - 24S,28S-epoxystigmast-5-en-3beta-ol
| Formula | C29H48O2 |
| Net Charge | 0 |
| Average Mass | 428.701 |
| Monoisotopic Mass | 428.36543 |
| SMILES | [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@@]1(C(C)C)O[C@H]1C |
| InChI | InChI=1S/C29H48O2/c1-18(2)29(20(4)31-29)16-11-19(3)24-9-10-25-23-8-7-21-17-22(30)12-14-27(21,5)26(23)13-15-28(24,25)6/h7,18-20,22-26,30H,8-17H2,1-6H3/t19-,20+,22+,23+,24-,25+,26+,27+,28-,29+/m1/s1 |
| InChIKey | XUBCLKHKJZCPFZ-WGLRHWGRSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | brain (BTO:0000142) | MetaboLights (MTBLS2457) | Strain: C57BL/6J [EFO:0000606] |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 24S,28S-epoxystigmast-5-en-3beta-ol (CHEBI:173028) is a steroid (CHEBI:35341) |
| IUPAC Name |
|---|
| (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-4-[(2S,3S)-3-methyl-2-propan-2-yloxiran-2-yl]butan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Manual Xrefs | Databases |
|---|---|
| 166211 | ChemSpider |
| LMST01040168 | LIPID MAPS |
| Registry Numbers | Sources |
|---|---|
| CAS:55870-01-4 | ChemIDplus |