EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H20Cl2N2O5 |
| Net Charge | 0 |
| Average Mass | 367.229 |
| Monoisotopic Mass | 366.07493 |
| SMILES | C[C@H](N)C(=O)N[C@@H]1[C@@H]2C[C@H](O)CC(O)=C2C(=O)O[C@]1(C)C(Cl)Cl |
| InChI | InChI=1S/C14H20Cl2N2O5/c1-5(17)11(21)18-10-7-3-6(19)4-8(20)9(7)12(22)23-14(10,2)13(15)16/h5-7,10,13,19-20H,3-4,17H2,1-2H3,(H,18,21)/t5-,6-,7+,10+,14-/m0/s1 |
| InChIKey | JSRXKUDJDNEKAW-NTQPJNNGSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Pseudomonasspecies (ncbitaxon:306) | - | PubMed (7205539) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Y-14556 (CHEBI:203941) is a amino acid amide (CHEBI:22475) |
| IUPAC Name |
|---|
| (2S)-N-[(3S,4R,4aR,6S)-3-(dichloromethyl)-6,8-dihydroxy-3-methyl-1-oxo-4a,5,6,7-tetrahydro-4H-isochromen-4-yl]-2-aminopropanamide |
| Manual Xrefs | Databases |
|---|---|
| 57523237 | ChemSpider |