Dataset
![molecular Image]()
Palmitoleic acid
Chemical Info
| InChI | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7- |
|---|---|
| SMILES | CCCCCC\C=C/CCCCCCCC(O)=O |
| InChI Key | SECPZKHBENQXJG-FPLPWBNLSA-N |
| Molecular Formula | C16H30O2 |
| Exact Mass | 254.225 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-Antwerp_Univ-METOX_N107359_4D57 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T09:35:47.957819 |
| MetadataModified | 2025-02-08T18:52:11.884627 |
| MetadataPublished | 2022-04-09 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 445638 | PubChem |
| 60018902 | NMRShiftDB |
| PD019634 | ProbesDrugs |
| 14847829 | PubChem: Thomson Pharma |
| 373-49-9 | ACToR |
| 209B6YPZ4I | FDA SRS |
| 530342 | eMolecules |
| 2281 | Brenda |
| 175474 | Brenda |
| 202565 | Brenda |
| 52810 | Brenda |
| 5594 | Brenda |
| 104114 | Brenda |
| DB04257 | DrugBank |
| 48914 | Brenda |
| HMDB0003229 | Human Metabolome Database |
| CB1384985 | ChemicalBook |
| ZINC000008221009 | ZINC |
| MTBLC28716 | Metabolights |
| SCHEMBL33310 | SureChEMBL |
| 50269531 | BindingDB |
| DTXSID0041197 | EPA CompTox Dashboard |
| LMFA01030056 | LipidMaps |
| 5547 | Guide to Pharmacology |
| J12.503B | Nikkaji |
| HY-W011873 | MedChemExpress |
| 202739 | Brenda |
| 28716 | ChEBI |
| C08362 | KEGG Ligand |
| PAM | PDBe |
| CHEMBL453509 | ChEMBL |
| The data in this table is sourced from UniChem at EBI. | |