EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H28N2O5 |
| Net Charge | 0 |
| Average Mass | 400.475 |
| Monoisotopic Mass | 400.19982 |
| SMILES | [H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)N(O[H])C([H])([H])[C@@]([H])(N([H])[H])C([H])([H])c1c([H])c([H])c(OC([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H] |
| InChI | InChI=1S/C22H28N2O5/c23-19(15-24(28)21(25)8-4-5-9-22(26)27)14-17-10-12-20(13-11-17)29-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,19,28H,4-5,8-9,14-16,23H2,(H,26,27)/t19-/m0/s1 |
| InChIKey | YOYHDDAKAGRLRC-IBGZPJMESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID) (CHEBI:49634) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| 6-[{(2S)-2-amino-3-[4-(benzyloxy)phenyl]propyl}(hydroxy)amino]-6-oxohexanoic acid | PDBeChem |
| 6-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-6-OXOHEXANOIC ACID) | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| HA2 | PDBeChem |