Dataset
![molecular Image]()
Pimelic acid
Chemical Info
| InChI | InChI=1S/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11) |
|---|---|
| SMILES | OC(=O)CCCCCC(O)=O |
| InChI Key | WLJVNTCWHIRURA-UHFFFAOYSA-N |
| Molecular Formula | C7H12O4 |
| Exact Mass | 160.074 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-Keio_Univ-KO001655 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T17:26:21.060460 |
| MetadataModified | 2025-02-09T14:24:46.109363 |
| MetadataPublished | 2016-01-19 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 385 | PubChem |
| 14772421 | PubChem: Thomson Pharma |
| 111-16-0 | ACToR |
| PD008402 | ProbesDrugs |
| BZQ96WX25F | FDA SRS |
| 530979 | eMolecules |
| SCHEMBL6044 | SureChEMBL |
| 10016799 | NMRShiftDB |
| MCULE-9618389016 | Mcule |
| 44221 | Brenda |
| MTBLC30531 | Metabolights |
| CB3329360 | ChemicalBook |
| HMDB0000857 | Human Metabolome Database |
| 15922 | Brenda |
| 97379 | Brenda |
| 15923 | Brenda |
| C02656 | KEGG Ligand |
| DB01856 | DrugBank |
| CHEMBL1235351 | ChEMBL |
| 30531 | ChEBI |
| PML | PDBe |
| DTXSID5021598 | EPA CompTox Dashboard |
| LMFA01170051 | LipidMaps |
| HY-Y1139 | MedChemExpress |
| PIMELA | CCDC |
| ZINC000001529489 | ZINC |
| J5.105E | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |