Dataset

y-Linolenic acid

This MassBank record with Accession MSBNK-BS-BS003973 contains the MS2 mass spectrum of y-Linolenic acid with the InChIkey VZCCETWTMQHEPK-QNEBEIHSSA-N.

Chemical Info

molecular Image
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-BS003973
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:34:55.514677
MetadataModified 2024-01-11T12:34:55.718834
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.