EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H17NO3 |
| Net Charge | 0 |
| Average Mass | 223.272 |
| Monoisotopic Mass | 223.12084 |
| SMILES | [H]OC(=O)C([H])([H])C([H])([H])[C@]([H])(O[H])[C@@]([H])(N([H])[H])C([H])([H])c1c([H])c([H])c([H])c([H])c1[H] |
| InChI | InChI=1S/C12H17NO3/c13-10(11(14)6-7-12(15)16)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11-/m0/s1 |
| InChIKey | RZDSOGPADIZKDQ-QWRGUYRKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid (CHEBI:49346) is a unclassifieds (CHEBI:27189) |
| Synonym | Source |
|---|---|
| (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| 0AC | PDBeChem |