EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:212880 - 3-acetyl ergosterol 5,8-endoperoxide
| Formula | C30H46O4 |
| Net Charge | 0 |
| Average Mass | 470.694 |
| Monoisotopic Mass | 470.33961 |
| SMILES | CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34C=C[C@]2(C1)OO4 |
| InChI | InChI=1S/C30H46O4/c1-19(2)20(3)8-9-21(4)24-10-11-25-27(24,6)14-13-26-28(7)15-12-23(32-22(5)31)18-29(28)16-17-30(25,26)34-33-29/h8-9,16-17,19-21,23-26H,10-15,18H2,1-7H3/b9-8+/t20-,21+,23-,24+,25+,26+,27+,28+,29+,30-/m0/s1 |
| InChIKey | VVDFOIZUJIWFEH-ADYCPGKUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Talaromyces (ncbitaxon:5094) | - | DOI (10.1177/1934578x1400900822) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-acetyl ergosterol 5,8-endoperoxide (CHEBI:212880) is a steroid ester (CHEBI:47880) |
| IUPAC Name |
|---|
| [(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-yl] acetate |
| Manual Xrefs | Databases |
|---|---|
| 4978114 | ChemSpider |