EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H30OS |
| Net Charge | 0 |
| Average Mass | 306.515 |
| Monoisotopic Mass | 306.20174 |
| SMILES | C[C@]12CC3SC3C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 |
| InChI | InChI=1S/C19H30OS/c1-18-8-7-14-12(13(18)5-6-17(18)20)4-3-11-9-15-16(21-15)10-19(11,14)2/h11-17,20H,3-10H2,1-2H3/t11-,12+,13+,14-,15?,16?,17+,18+,19+/m1/s1 |
| InChIKey | OBMLHUPNRURLOK-VMLGWULXSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-5126 (CHEBI:94429) has parent hydride estrane (CHEBI:23966) |
| LSM-5126 (CHEBI:94429) is a steroid (CHEBI:35341) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5126 | LINCS |