EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C6H10O8.2C9H19N |
| Net Charge | 0 |
| Average Mass | 492.654 |
| Monoisotopic Mass | 492.34107 |
| SMILES | CNC(C)CCC=C(C)C.CNC(C)CCC=C(C)C.O=C(O)C(O)C(O)C(O)C(O)C(=O)O |
| InChI | InChI=1S/2C9H19N.C6H10O8/c2*1-8(2)6-5-7-9(3)10-4;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*6,9-10H,5,7H2,1-4H3;1-4,7-10H,(H,11,12)(H,13,14) |
| InChIKey | WSXKZIDINJKWPM-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N,6-dimethyl-5-hepten-2-amine 2,3,4,5-tetrahydroxyhexanedioic acid (CHEBI:94841) is a carbohydrate acid derivative (CHEBI:63436) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6056 | LINCS |