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CHEBI:51691 - apalcillin
| Formula | C25H23N5O6S |
| Net Charge | 0 |
| Average Mass | 521.555 |
| Monoisotopic Mass | 521.13690 |
| SMILES | [H][C@](NC(=O)c1cnc2cccnc2c1O)(C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@]12[H])c1ccccc1 |
| InChI | InChI=1S/C25H23N5O6S/c1-25(2)19(24(35)36)30-22(34)17(23(30)37-25)29-21(33)15(12-7-4-3-5-8-12)28-20(32)13-11-27-14-9-6-10-26-16(14)18(13)31/h3-11,15,17,19,23H,1-2H3,(H,27,31)(H,28,32)(H,29,33)(H,35,36)/t15-,17-,19+,23-/m1/s1 |
| InChIKey | XMQVYNAURODYCQ-SLFBBCNNSA-N |
| 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) |
| apalcillin (CHEBI:51691) is a 1,5-naphthyridine derivative (CHEBI:73540) |
| apalcillin (CHEBI:51691) is a penicillin (CHEBI:17334) |
| apalcillin (CHEBI:51691) is conjugate acid of apalcillin(1−) (CHEBI:51699) |
| Incoming Relation(s) |
| apalcillin(1−) (CHEBI:51699) is conjugate base of apalcillin (CHEBI:51691) |
| IUPAC Name |
|---|
| 6β-{(2R)-2-[(4-hydroxy-1,5-naphthyridin-3-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3α-carboxylic acid |
| INNs | Source |
|---|---|
| apalcillinum | ChemIDplus |
| apalcilline | ChemIDplus |
| apalcillin | ChEBI |
| Synonyms | Source |
|---|---|
| (2S,5R,6R)-6-{[(2R)-2-{[(4-hydroxy-1,5-naphthyridin-3-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | IUPAC |
| apalcilina | ChemIDplus |
| Manual Xrefs | Databases |
|---|---|
| 227 | DrugCentral |
| Registry Numbers | Sources |
|---|---|
| Beilstein:6494943 | Beilstein |
| Beilstein:6030446 | Beilstein |
| CAS:63469-19-2 | ChemIDplus |