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CHEBI:229931 - bl-p1761
| Formula | C21H27N3O5S |
| Net Charge | 0 |
| Average Mass | 433.530 |
| Monoisotopic Mass | 433.16714 |
| SMILES | COCOC(=O)[C@@H]1N2C(=O)[C@@H](N3C(=O)C(c4ccccc4)NC3(C)C)[C@H]2SC1(C)C |
| InChI | InChI=1S/C21H27N3O5S/c1-20(2)15(19(27)29-11-28-5)23-17(26)14(18(23)30-20)24-16(25)13(22-21(24,3)4)12-9-7-6-8-10-12/h6-10,13-15,18,22H,11H2,1-5H3/t13?,14-,15+,18-/m1/s1 |
| InChIKey | QTQPGZVDUCMVLK-KRWWSPQJSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS9087) |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bl-p1761 (CHEBI:229931) is a penicillin (CHEBI:17334) |
| IUPAC Name |
|---|
| methoxymethyl (2S,5R,6R)-6-(2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |