Dataset
9Z, 11E-Linoleic acid
Chemical Info
InChI | InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9- |
---|---|
SMILES | C(C(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])([H])[H] |
InChI Key | JBYXPOFIGCOSSB-GOJKSUSPSA-N |
Molecular Formula | C18H32O2 |
Exact Mass | 280.240 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-BS-BS004024 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:35:22.874206 |
MetadataModified | 2024-01-11T12:35:23.086309 |
MetadataPublished | 2017-12-01 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
32798 | ChEBI |
C04056 | KEGG Ligand |
ZINC000008219019 | ZINC |
DTXSID1041003 | EPA CompTox Dashboard |
LMFA01030118 | LipidMaps |
32608 | Brenda |
CHEMBL4303722 | ChEMBL |
HY-113162 | MedChemExpress |
CB7727830 | ChemicalBook |
6720813 | eMolecules |
151065 | Brenda |
HMDB0003797 | Human Metabolome Database |
25174 | Brenda |
72329 | Brenda |
155375 | Brenda |
MTBLC32798 | Metabolights |
43678 | Brenda |
5280644 | PubChem |
14799656 | PubChem: Thomson Pharma |
46JZW3MR59 | FDA SRS |
70092931 | NMRShiftDB |
PD020555 | ProbesDrugs |
J604.211B | Nikkaji |
SCHEMBL1270204 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |