EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:211431 - Borrelidin K
| Formula | C29H47NO7 |
| Net Charge | 0 |
| Average Mass | 521.695 |
| Monoisotopic Mass | 521.33525 |
| SMILES | COC(=O)[C@@H]1CCC[C@H]1[C@@H](O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O |
| InChI | InChI=1S/C29H47NO7/c1-18(14-20(3)26(32)16-27(33)34)13-19(2)15-21(4)28(35)22(17-30)9-6-7-12-25(31)23-10-8-11-24(23)29(36)37-5/h6-7,9,18-21,23-26,28,31-32,35H,8,10-16H2,1-5H3,(H,33,34)/b7-6+,22-9-/t18-,19+,20-,21-,23+,24+,25-,26-,28+/m0/s1 |
| InChIKey | OQVUUSDKICWAQX-FNAXLFQASA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces (ncbitaxon:1883) | |||
| - | PubMed (31134000) | ||
| - | DOI (10.1016/j.tetlet.2018.11.023) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Borrelidin K (CHEBI:211431) is a diterpenoid (CHEBI:23849) |
| IUPAC Names |
|---|
| (3S,4S,6S,8R,10S,11R,12Z,14E,17S)-12-cyano-3,11,17-trihydroxy-17-[(1R,2R)-2-methoxycarbonylcyclopentyl]-4,6,8,10-tetramethylheptadeca-12,14-dienoic acid |
| (1R,2R)-2-[(2S,8R,9S,13R,15S,16S)-7-cyano-8,11,16-trihydroxy-9,11,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6-dien-2-yl]cyclopentane-1-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 73950477 | ChemSpider |