EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H27NO3 |
| Net Charge | 0 |
| Average Mass | 245.363 |
| Monoisotopic Mass | 245.19909 |
| SMILES | [H]OC(=O)[C@]([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[C@]([H])(O[H])[C@@]([H])(N([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H] |
| InChI | InChI=1S/C13H27NO3/c1-8(2)5-10(13(16)17)7-12(15)11(14)6-9(3)4/h8-12,15H,5-7,14H2,1-4H3,(H,16,17)/t10-,11+,12+/m1/s1 |
| InChIKey | VQUMYZBNWKMCTB-WOPDTQHZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LEU-HYDROXYETHYLENE-LEU (CHEBI:43910) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (2R,4S,5S)-5-amino-4-hydroxy-7-methyl-2-(2-methylpropyl)octanoic acid | PDBeChem |
| LEU-HYDROXYETHYLENE-LEU | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| LPL | PDBeChem |