Dataset
y-Linolenic acid
Chemical Info
InChI | InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12- |
---|---|
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] |
InChI Key | VZCCETWTMQHEPK-QNEBEIHSSA-N |
Molecular Formula | C18H30O2 |
Exact Mass | 278.225 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-BS003976 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:34:16.623906 |
MetadataModified | 2024-01-11T12:34:16.824477 |
MetadataPublished | 2017-12-01 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
5280933 | PubChem |
PD014105 | ProbesDrugs |
14775234 | PubChem: Thomson Pharma |
506-26-3 | ACToR |
78YC2MAX4O | FDA SRS |
HMDB0003073 | Human Metabolome Database |
DB13854 | DrugBank |
42608 | Brenda |
136297 | Brenda |
108552 | Brenda |
78714 | Brenda |
48190 | Brenda |
152071 | Brenda |
126387 | Brenda |
202736 | Brenda |
21743 | Brenda |
3746 | Brenda |
MTBLC28661 | Metabolights |
CB3238150 | ChemicalBook |
CHEMBL464982 | ChEMBL |
28661 | ChEBI |
12014288 | PubChem: Drugs of the Future |
C06426 | KEGG Ligand |
524834 | eMolecules |
60018782 | NMRShiftDB |
4710 | Guide to Pharmacology |
MolPort-003-937-818 | MolPort |
SCHEMBL19418 | SureChEMBL |
50269532 | BindingDB |
J12.229G | Nikkaji |
LSM-42900 | LINCS |
DTXSID7046170 | EPA CompTox Dashboard |
LMFA01030141 | LipidMaps |
1276 | DrugCentral |
ZINC000003777423 | ZINC |
228704 | Brenda |
115713 | Brenda |
GAMMA-LINOLENIC ACID | rxnorm |
GAMMA-LINOLENATE | rxnorm |
HY-N7140 | MedChemExpress |
18:3(N-6) | clinicaltrials |
GAMOLENIC ACID | clinicaltrials |
The data in this table is sourced from UniChem at EBI. |