EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H37O6 |
| Net Charge | -1 |
| Average Mass | 385.521 |
| Monoisotopic Mass | 385.25956 |
| SMILES | C[C@H](CCCCCCCCCC/C=C/C(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C21H38O6/c1-16(26-21-19(23)15-18(22)17(2)27-21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h12,14,16-19,21-23H,3-11,13,15H2,1-2H3,(H,24,25)/p-1/b14-12+/t16-,17+,18-,19-,21-/m1/s1 |
| InChIKey | MTVUVHUAEUQKIN-YWWXTUTHSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ascr#25(1-) (CHEBI:139662) is a organic molecular entity (CHEBI:50860) |
| ascr#25(1-) (CHEBI:139662) is conjugate base of ascr#25 (CHEBI:78963) |
| Incoming Relation(s) |
| ascr#25 (CHEBI:78963) is conjugate acid of ascr#25(1-) (CHEBI:139662) |