Dataset
![molecular Image]()
Penicillin G
Chemical Info
| InChI | InChI=1S/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1 |
|---|---|
| SMILES | c(c3)ccc(c3)CC(=O)NC(C(=O)1)C([H])(S2)N1C(C(O)=O)C(C)(C)2 |
| InChI Key | JGSARLDLIJGVTE-MBNYWOFBSA-N |
| Molecular Formula | C16H18N2O4S |
| Exact Mass | 334.099 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-WA002372 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T22:40:39.649832 |
| MetadataModified | 2025-02-09T20:19:59.032490 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| SCHEMBL3783 | SureChEMBL |
| ZINC000003871701 | ZINC |
| CB1211939 | ChemicalBook |
| HMDB0015186 | Human Metabolome Database |
| 11038 | Brenda |
| 125600 | Brenda |
| 174232 | Brenda |
| 348 | Brenda |
| 181 | Brenda |
| LSM-3229 | LINCS |
| 15348041 | PubChem: Thomson Pharma |
| Q42T66VG0C | FDA SRS |
| Penicillin G | Atlas |
| 70005477 | NMRShiftDB |
| PD009576 | ProbesDrugs |
| 14875396 | PubChem: Thomson Pharma |
| PA450842 | PharmGKB |
| 61-33-6 | ACToR |
| 5904 | PubChem |
| 18208 | ChEBI |
| PNN | PDBe |
| C05551 | KEGG Ligand |
| DB01053 | DrugBank |
| CHEMBL29 | ChEMBL |
| 4796 | Guide to Pharmacology |
| 50022787 | BindingDB |
| J2.342F | Nikkaji |
| 2082 | DrugCentral |
| DTXSID5046934 | EPA CompTox Dashboard |
| BENZYLPENICILLIN | clinicaltrials |
| BENZYLPENICILLIN POTASSIUM | clinicaltrials |
| BENZYLPENICILLIN SODIUM | clinicaltrials |
| BICILLIN | clinicaltrials |
| PENICILLIN G | clinicaltrials |
| PENICILLIN G BENZATHINE | clinicaltrials |
| PENICILLIN G POTASSIUM | clinicaltrials |
| PENICILLIN G SODIUM | clinicaltrials |
| PENICILLIN-2 | clinicaltrials |
| PENTIDS | clinicaltrials |
| PERMAPEN | clinicaltrials |
| PFIZERPEN | clinicaltrials |
| PENICILLIN G | rxnorm |
| PENICILLIN G SODIUM | rxnorm |
| BICILLIN L-A | rxnorm |
| PENICILLIN G BENZATHINE | rxnorm |
| PENICILLIN G POTASSIUM | rxnorm |
| 18062 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |