Dataset
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 | C(C(C(C(C(C(/C(=C(\C(C(C(C(C(C(C(C(=O)O[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])/[H])/[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])[H])([H])([H])[H] |
InChI Key | SECPZKHBENQXJG-FPLPWBNLSA-N |
Molecular Formula | C16H30O2 |
Exact Mass | 254.225 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003995 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:35:58.344579 |
MetadataModified | 2024-01-11T12:35:58.512484 |
MetadataPublished | 2017-12-01 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
28716 | ChEBI |
C08362 | KEGG Ligand |
PAM | PDBe |
CHEMBL453509 | ChEMBL |
530342 | eMolecules |
175474 | Brenda |
202739 | Brenda |
CB1384985 | ChemicalBook |
HMDB0003229 | Human Metabolome Database |
DB04257 | DrugBank |
104114 | Brenda |
48914 | Brenda |
5594 | Brenda |
202565 | Brenda |
52810 | Brenda |
2281 | Brenda |
MTBLC28716 | Metabolights |
ZINC000008221009 | ZINC |
50269531 | BindingDB |
LMFA01030056 | LipidMaps |
HY-W011873 | MedChemExpress |
DTXSID0041197 | EPA CompTox Dashboard |
5547 | Guide to Pharmacology |
SCHEMBL33310 | SureChEMBL |
J12.503B | Nikkaji |
445638 | PubChem |
60018902 | NMRShiftDB |
PD019634 | ProbesDrugs |
209B6YPZ4I | FDA SRS |
373-49-9 | ACToR |
14847829 | PubChem: Thomson Pharma |
The data in this table is sourced from UniChem at EBI. |