EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H19N5O7S2 |
| Net Charge | 0 |
| Average Mass | 457.490 |
| Monoisotopic Mass | 457.07259 |
| SMILES | [H]OC(=O)C1=C(C([H])([H])OC(=O)C([H])([H])[H])C([H])([H])S[C@]([H])([C@@]([H])(C([H])=O)N([H])C(=O)/C(=N\OC([H])([H])[H])c2nc(N([H])[H])sc2[H])N1[H] |
| InChI | InChI=1S/C16H19N5O7S2/c1-7(23)28-4-8-5-29-14(20-11(8)15(25)26)9(3-22)18-13(24)12(21-27-2)10-6-30-16(17)19-10/h3,6,9,14,20H,4-5H2,1-2H3,(H2,17,19)(H,18,24)(H,25,26)/b21-12-/t9-,14-/m1/s1 |
| InChIKey | YJLHJBLULHXDCF-FHENSNEGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| CEFOTAXIME GROUP (CHEBI:41416) is a unclassifieds (CHEBI:27189) |
| Synonyms | Source |
|---|---|
| (2R)-5-[(acetyloxy)methyl]-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid | PDBeChem |
| CEFOTAXIME GROUP | PDBeChem |
| Manual Xrefs | Databases |
|---|---|
| CEF | PDBeChem |