EMBL-EBI | Chemical Biology | ChEBI
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| Formula | Na.C32H34N5O11S2 |
| Net Charge | 0 |
| Average Mass | 751.772 |
| Monoisotopic Mass | 751.15939 |
| SMILES | [H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)c1ccc(-c2ccc(S(=O)(=O)N(CCO)CCO)cc2)nc1=O)c1ccc(O)cc1.[Na+] |
| InChI | InChI=1S/C32H35N5O11S2.Na/c1-32(2)25(31(45)46)37-29(44)24(30(37)49-32)35-28(43)23(18-3-7-19(40)8-4-18)34-27(42)21-11-12-22(33-26(21)41)17-5-9-20(10-6-17)50(47,48)36(13-15-38)14-16-39;/h3-12,23-25,30,38-40H,13-16H2,1-2H3,(H,33,41)(H,34,42)(H,35,43)(H,45,46);/q;+1/p-1/t23-,24-,25+,30-;/m1./s1 |
| InChIKey | CHEUORCVUSORLI-BQZVOSRDSA-M |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| piridicillin sodium (CHEBI:752005) is a peptide (CHEBI:16670) |
| Synonyms | Source |
|---|---|
| CL-867 | ChEMBL |
| Piridicillin sodium | ChEMBL |