Dataset

Oleic acid

This MassBank record with Accession MSBNK-BS-BS003992 contains the MS mass spectrum of Oleic acid with the InChIkey ZQPPMHVWECSIRJ-KTKRTIGZSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
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])([H])[H]
InChI Key ZQPPMHVWECSIRJ-KTKRTIGZSA-N
Molecular Formula C18H34O2
Exact Mass 282.256 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-BS003992
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:37:39.780214
MetadataModified 2024-01-11T12:37:39.929436
MetadataPublished 2017-12-01
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
87550986 PubChem: Drugs of the Future
C00712 KEGG Ligand
CHEMBL8659 ChEMBL
1054 Guide to Pharmacology
16196 ChEBI
OLA PDBe
OLEIC ACID DailyMed
OLEIC ACID rxnorm
OLEATE rxnorm
OLEIC ACID clinicaltrials
HY-N1446 MedChemExpress
DTXSID1025809 EPA CompTox Dashboard
LMFA01030002 LipidMaps
3400 DrugCentral
ZINC000006845860 ZINC
SCHEMBL1138 SureChEMBL
10008720 NMRShiftDB
J2.460K Nikkaji
OLECAC CCDC
50150484 BindingDB
476169 eMolecules
CB7228241 ChemicalBook
oleic acid DailyMed
183037 Brenda
20918 Brenda
MTBLC16196 Metabolights
34805 Brenda
48915 Brenda
380 Brenda
488 Brenda
108791 Brenda
195593 Brenda
121942 Brenda
HMDB0000207 Human Metabolome Database
445639 PubChem
PD011439 ProbesDrugs
14750979 PubChem: Thomson Pharma
68412-07-7 ACToR
2UMI9U37CP FDA SRS
The data in this table is sourced from UniChem at EBI.