EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:198233 - (-)-Dihydropertusaric acid
| Formula | C20H34O5 |
| Net Charge | 0 |
| Average Mass | 354.487 |
| Monoisotopic Mass | 354.24062 |
| SMILES | CC(=O)CCCCCCCCCCCC[C@@H]1OC(=O)[C@@H](C)[C@@H]1C(=O)O |
| InChI | InChI=1S/C20H34O5/c1-15(21)13-11-9-7-5-3-4-6-8-10-12-14-17-18(19(22)23)16(2)20(24)25-17/h16-18H,3-14H2,1-2H3,(H,22,23)/t16-,17-,18-/m0/s1 |
| InChIKey | GITAQGNGLWXMTE-BZSNNMDCSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pertusaria albescens (ncbitaxon:153480) | - | DOI (10.1016/s0031-9422(00)85500-4) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (-)-Dihydropertusaric acid (CHEBI:198233) is a γ-lactone (CHEBI:37581) |
| IUPAC Name |
|---|
| (2S,3S,4S)-4-methyl-5-oxo-2-(13-oxotetradecyl)oxolane-3-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78436333 | ChemSpider |