Dataset
![molecular Image]()
PROPIONIC ACID
Chemical Info
| InChI | InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) |
|---|---|
| SMILES | CCC(O)=O |
| InChI Key | XBDQKXXYIPTUBI-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
| Exact Mass | 74.037 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005852 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T15:55:00.304742 |
| MetadataModified | 2024-01-11T15:55:00.466042 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| SCHEMBL290 | SureChEMBL |
| J1.963A | Nikkaji |
| MCULE-2199051150 | Mcule |
| PRONAC | CCDC |
| 7994 | NMRShiftDB |
| PD007256 | ProbesDrugs |
| JHU490RVYR | FDA SRS |
| 784139-72-6 | ACToR |
| 1032 | PubChem |
| 79-09-4 | ACToR |
| 15194153 | PubChem: Thomson Pharma |
| 68937-68-8 | ACToR |
| MTBLC30768 | Metabolights |
| 161636 | Brenda |
| 949 | Brenda |
| 103555 | Brenda |
| CB4138567 | ChemicalBook |
| 9558 | Brenda |
| HMDB0000237 | Human Metabolome Database |
| DB03766 | DrugBank |
| 49280 | Brenda |
| 50082199 | BindingDB |
| ZINC000006050663 | ZINC |
| PROPIONIC ACID | clinicaltrials |
| DTXSID8025961 | EPA CompTox Dashboard |
| PROPIONIC ACID | rxnorm |
| PROPIONATE | rxnorm |
| LMFA01010003 | LipidMaps |
| E-280 | clinicaltrials |
| 1724 | Brenda |
| CHEMBL14021 | ChEMBL |
| 1062 | Guide to Pharmacology |
| 30768 | ChEBI |
| PPI | PDBe |
| C00163 | KEGG Ligand |
| 475328 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |