EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H17N2O5S |
| Net Charge | -1 |
| Average Mass | 349.388 |
| Monoisotopic Mass | 349.08637 |
| SMILES | [H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)Cc1ccc(O)cc1 |
| InChI | InChI=1S/C16H18N2O5S/c1-16(2)12(15(22)23)18-13(21)11(14(18)24-16)17-10(20)7-8-3-5-9(19)6-4-8/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)/p-1/t11-,12+,14-/m1/s1 |
| InChIKey | AZCVBVRUYHKWHU-MBNYWOFBSA-M |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| penicillin X(1-) (CHEBI:760672) is a penicillinate anion (CHEBI:51356) |
| penicillin X(1-) (CHEBI:760672) is conjugate base of Penicillin X (CHEBI:81065) |
| UniProt Name | Source |
|---|---|
| penicillin X | UniProt |