Dataset

9Z,12Z-Linoleic acid (NMR)

This MassBank record with Accession MSBNK-BS-BS001066 contains the MS2 mass spectrum of 9Z,12Z-Linoleic acid (NMR) with the InChIkey OYHQOLUKZRVURQ-HZJYTTRNSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-
SMILES OC(CCCCCCC/C=C\C/C=C\CCCCC)=O
InChI Key OYHQOLUKZRVURQ-HZJYTTRNSA-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-BS001066
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:36:06.794224
MetadataModified 2024-01-11T12:36:06.988381
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
C01595 KEGG Ligand
EIC PDBe
CHEMBL267476 ChEMBL
17351 ChEBI
1052 Guide to Pharmacology
524840 eMolecules
5280450 PubChem
60018537 NMRShiftDB
PD013641 ProbesDrugs
221817 Brenda
14897568 PubChem: Thomson Pharma
2197-37-7 ACToR
506-21-8 ACToR
80969-37-5 ACToR
9KJL21T0QJ FDA SRS
J4.801A Nikkaji
LINOLA CCDC
SCHEMBL7067 SureChEMBL
ZINC000004474613 ZINC
DTXSID2025505 EPA CompTox Dashboard
LMFA01030120 LipidMaps
3323 DrugCentral
LSM-42867 LINCS
22231 BindingDB
LINOLEIC ACID DailyMed
225329 Brenda
228714 Brenda
LINOLEATE rxnorm
LINOLEIC ACID rxnorm
LINOLEIC ACID clinicaltrials
HY-N0729 MedChemExpress
808 Brenda
13238 Brenda
HMDB0000673 Human Metabolome Database
DB14104 DrugBank
CB9125821 ChemicalBook
208330 Brenda
206199 Brenda
26755855 eMolecules
84984 Brenda
14245 Brenda
108790 Brenda
30147 Brenda
428 Brenda
48907 Brenda
20089 Brenda
181723 Brenda
175498 Brenda
55517 Brenda
8792 Brenda
MTBLC17351 Metabolights
35229 Brenda
8327 Brenda
The data in this table is sourced from UniChem at EBI.