EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H32Cl2O2 |
| Net Charge | 0 |
| Average Mass | 375.380 |
| Monoisotopic Mass | 374.17794 |
| SMILES | C#CCCC/C(=C\Cl)C[C@H](O)CC[C@@H](C)C[C@@H](C)[C@@H](O)C/C=C/Cl |
| InChI | InChI=1S/C20H32Cl2O2/c1-4-5-6-8-18(15-22)14-19(23)11-10-16(2)13-17(3)20(24)9-7-12-21/h1,7,12,15-17,19-20,23-24H,5-6,8-11,13-14H2,2-3H3/b12-7+,18-15+/t16-,17-,19-,20+/m1/s1 |
| InChIKey | FHIUEIGHOUMYJW-AUHSEPBUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Trichodesmiumspecies (ncbitaxon:1207) | - | PubMed (30280904) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Trichophycin D (CHEBI:212719) is a secondary alcohol (CHEBI:35681) |
| IUPAC Name |
|---|
| (E,4S,5R,7R,10R,12E)-1-chloro-12-(chloromethylidene)-5,7-dimethylheptadec-1-en-16-yne-4,10-diol |
| Manual Xrefs | Databases |
|---|---|
| 70951830 | ChemSpider |