EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H39O7 |
| Net Charge | -1 |
| Average Mass | 403.536 |
| Monoisotopic Mass | 403.27013 |
| SMILES | C[C@H](CCCCCCCCCC[C@@H](O)CC(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C21H40O7/c1-15(27-21-19(24)14-18(23)16(2)28-21)11-9-7-5-3-4-6-8-10-12-17(22)13-20(25)26/h15-19,21-24H,3-14H2,1-2H3,(H,25,26)/p-1/t15-,16+,17-,18-,19-,21-/m1/s1 |
| InChIKey | WDFCEBWMCPQIFZ-XBIRKDKFSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bhas#26(1-) (CHEBI:139747) is a organic molecular entity (CHEBI:50860) |
| bhas#26(1-) (CHEBI:139747) is conjugate base of bhas#26 (CHEBI:79233) |
| Incoming Relation(s) |
| bhas#26 (CHEBI:79233) is conjugate acid of bhas#26(1-) (CHEBI:139747) |