Dataset
![molecular Image]()
Suberic acid
Chemical Info
| InChI | InChI=1S/C8H14O4/c9-7(10)5-3-1-2-4-6-8(11)12/h1-6H2,(H,9,10)(H,11,12) |
|---|---|
| SMILES | OC(=O)CCCCCCC(O)=O |
| InChI Key | TYFQFVWCELRYAO-UHFFFAOYSA-N |
| Molecular Formula | C8H14O4 |
| Exact Mass | 174.089 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BGC_Munich-RP015302 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T12:31:42.814380 |
| MetadataModified | 2025-02-09T08:46:15.604471 |
| MetadataPublished | 2017-10-24 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 9300 | ChEBI |
| C08278 | KEGG Ligand |
| OCE | PDBe |
| CHEMBL1162491 | ChEMBL |
| DTXSID8021644 | EPA CompTox Dashboard |
| J6.225A | Nikkaji |
| SUBRAC | CCDC |
| HY-W015300 | MedChemExpress |
| LMFA01170001 | LipidMaps |
| ZINC000001531046 | ZINC |
| SUBERIC ACID | rxnorm |
| 224804 | Brenda |
| CB2775043 | ChemicalBook |
| 44622 | Brenda |
| 140818 | Brenda |
| HMDB0000893 | Human Metabolome Database |
| MTBLC9300 | Metabolights |
| SCHEMBL3301 | SureChEMBL |
| 22494956 | PubChem |
| MCULE-1380155289 | Mcule |
| 15147207 | PubChem: Thomson Pharma |
| 10457 | PubChem |
| 6U7Y4M9C1H | FDA SRS |
| 70248-25-8 | ACToR |
| PD000120 | ProbesDrugs |
| 505-48-6 | ACToR |
| 60019740 | NMRShiftDB |
| 68937-72-4 | ACToR |
| 497225 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |