Dataset

gamma-Linolenic acid

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N104927_9CB7 contains the MS2 mass spectrum of gamma-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 CCCCC\C=C/C\C=C/C\C=C/CCCCC(O)=O
InChI Key VZCCETWTMQHEPK-QNEBEIHSSA-N
Molecular Formula C18H30O2
Exact Mass 278.225 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N104927_9CB7
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:29:31.063837
MetadataModified 2024-01-11T09:29:31.230451
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
SCHEMBL19418 SureChEMBL
5280933 PubChem
60018782 NMRShiftDB
PD014105 ProbesDrugs
14775234 PubChem: Thomson Pharma
506-26-3 ACToR
78YC2MAX4O FDA SRS
524834 eMolecules
108552 Brenda
48190 Brenda
CB3238150 ChemicalBook
78714 Brenda
42608 Brenda
HMDB0003073 Human Metabolome Database
DB13854 DrugBank
152071 Brenda
126387 Brenda
202736 Brenda
21743 Brenda
3746 Brenda
MTBLC28661 Metabolights
136297 Brenda
HY-N7140 MedChemExpress
18:3(N-6) clinicaltrials
4710 Guide to Pharmacology
J12.229G Nikkaji
GAMOLENIC ACID clinicaltrials
50269532 BindingDB
GAMMA-LINOLENATE rxnorm
GAMMA-LINOLENIC ACID rxnorm
228704 Brenda
115713 Brenda
LSM-42900 LINCS
1276 DrugCentral
LMFA01030141 LipidMaps
DTXSID7046170 EPA CompTox Dashboard
ZINC000003777423 ZINC
CHEMBL464982 ChEMBL
C06426 KEGG Ligand
12014288 PubChem: Drugs of the Future
28661 ChEBI
The data in this table is sourced from UniChem at EBI.