EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:198642 - Halymecin C
| Formula | C32H58O11 |
| Net Charge | 0 |
| Average Mass | 618.805 |
| Monoisotopic Mass | 618.39791 |
| SMILES | CCCCC[C@@H](O)C[C@@H](O)CC(=O)O[C@H](CCCCC)C[C@H](CC(=O)O[C@H](CCCCC)C[C@@H](O)CC(=O)O)OC(C)=O |
| InChI | InChI=1S/C32H58O11/c1-5-8-11-14-24(34)17-25(35)20-31(39)43-28(16-13-10-7-3)21-29(41-23(4)33)22-32(40)42-27(15-12-9-6-2)18-26(36)19-30(37)38/h24-29,34-36H,5-22H2,1-4H3,(H,37,38)/t24-,25-,26-,27-,28-,29-/m1/s1 |
| InChIKey | VKMYCUDYNRAXCY-PADYGVHUSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Fusarium (ncbitaxon:5506) | - | PubMed (8968393) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Halymecin C (CHEBI:198642) has functional parent tetracarboxylic acid (CHEBI:35742) |
| Halymecin C (CHEBI:198642) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (3R,5R)-5-[(3R,5R)-3-acetyloxy-5-[(3R,5R)-3,5-dihydroxydecanoyl]oxydecanoyl]oxy-3-hydroxydecanoic acid |
| Manual Xrefs | Databases |
|---|---|
| 8803017 | ChemSpider |