Dataset
![molecular Image]()
Amoxicillin
Chemical Info
| InChI | InChI=1S/C16H19N3O5S/c1-16(2)11(15(23)24)19-13(22)10(14(19)25-16)18-12(21)9(17)7-3-5-8(20)6-4-7/h3-6,9-11,14,20H,17H2,1-2H3,(H,18,21)(H,23,24)/t9-,10-,11+,14-/m1/s1 |
|---|---|
| SMILES | Oc(c3)ccc(c3)C(N)C(=O)NC(C(=O)1)C(S2)N1C(C(O)=O)C(C)(C)2 |
| InChI Key | LSQZJLSUYDQPKJ-NJBDSQKTSA-N |
| Molecular Formula | C16H19N3O5S |
| Exact Mass | 365.105 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001752 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:29:38.671969 |
| MetadataModified | 2025-02-09T20:23:13.817984 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL1082 | ChEMBL |
| DB01060 | DrugBank |
| SAM002264592 | NIH Clinical Collection |
| 2676 | ChEBI |
| C06827 | KEGG Ligand |
| 192 | DrugCentral |
| J3.165H | Nikkaji |
| AMOXCT | CCDC |
| 50350464 | BindingDB |
| DTXSID3037044 | EPA CompTox Dashboard |
| MCULE-5710225015 | Mcule |
| WYMOX | clinicaltrials |
| HY-B0467A | MedChemExpress |
| UTIMOX | clinicaltrials |
| DISPERMOX | clinicaltrials |
| BRL-2333 | clinicaltrials |
| BRL 2333 | clinicaltrials |
| MOXATAG | clinicaltrials |
| TRIMOX | clinicaltrials |
| AMOXIL | clinicaltrials |
| AMOXICILLIN TRIHYDRATE | clinicaltrials |
| AMOXICILLIN SODIUM | clinicaltrials |
| AMOXICILLIN HYDRATE | clinicaltrials |
| AMOXICILLIN | clinicaltrials |
| LAROTID | clinicaltrials |
| POLYMOX | clinicaltrials |
| MOXATAG | rxnorm |
| AMOXICILLIN ANHYDROUS | rxnorm |
| AMOXICILLIN TRIHYDRATE | rxnorm |
| AMOXICILLIN SODIUM | rxnorm |
| TRIMOX | rxnorm |
| BIOMOX | rxnorm |
| AMOXICILLIN | DailyMed |
| AMOXI-TABS | rxnorm |
| AMOXICILLIN | rxnorm |
| 10895 | Guide to Pharmacology |
| 1774 | Brenda |
| HMDB0015193 | Human Metabolome Database |
| 13087 | Brenda |
| amoxicillin | DailyMed |
| ZINC000003830215 | ZINC |
| 33613 | PubChem |
| SCHEMBL3427 | SureChEMBL |
| 40467057 | PubChem |
| 60027625 | NMRShiftDB |
| PD003145 | ProbesDrugs |
| 9EM05410Q9 | FDA SRS |
| amoxicillin | Atlas |
| 14803689 | PubChem: Thomson Pharma |
| 26787-78-0 | ACToR |
| PA448406 | PharmGKB |
| amoxicillin-amoxycillin | Selleck |
| 14852747 | PubChem: Thomson Pharma |
| LSM-5654 | LINCS |
| 2724871 | eMolecules |
| 29780576 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |