EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H25O6 |
| Net Charge | -1 |
| Average Mass | 301.359 |
| Monoisotopic Mass | 301.16566 |
| SMILES | C[C@H](CCCC/C=C/C(=O)[O-])O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O |
| InChI | InChI=1S/C15H26O6/c1-10(7-5-3-4-6-8-14(18)19)20-15-13(17)9-12(16)11(2)21-15/h6,8,10-13,15-17H,3-5,7,9H2,1-2H3,(H,18,19)/p-1/b8-6+/t10-,11+,12-,13-,15-/m1/s1 |
| InChIKey | MWGRRKDIJLJLMO-OSYKULTDSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ascr#3(1-) (CHEBI:139677) is a organic molecular entity (CHEBI:50860) |
| ascr#3(1-) (CHEBI:139677) is conjugate base of ascr#3 (CHEBI:78821) |
| Incoming Relation(s) |
| ascr#3 (CHEBI:78821) is conjugate acid of ascr#3(1-) (CHEBI:139677) |