Dataset

5-HETE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000172 contains the MS2 mass spectrum of 5-HETE with the InChIkey KGIJOOYOSFUGPC-JGKLHWIESA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h6-7,9-10,12-14,16,19,21H,2-5,8,11,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,13-12-,16-14+/t19-/m1/s1
SMILES CCCCC/C=C\C/C=C\C/C=C\C=C\[C@H](CCCC(=O)O)O
InChI Key KGIJOOYOSFUGPC-JGKLHWIESA-N
Molecular Formula C20H32O3
Exact Mass 320.235 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-Chubu_Univ-UT000172
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:47:36.926782
MetadataModified 2024-01-11T12:47:37.091840
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
HMDB0011134 Human Metabolome Database
MTBLC28209 Metabolights
5280733 PubChem
SCHEMBL1476909 SureChEMBL
60020817 NMRShiftDB
PD020562 ProbesDrugs
15469964 PubChem: Thomson Pharma
70608-72-9 ACToR
J390.336B Nikkaji
3390 Guide to Pharmacology
467RNW8T91 FDA SRS
50027525 BindingDB
ZINC000004546338 ZINC
LMFA03060002 LipidMaps
CHEMBL164813 ChEMBL
28209 ChEBI
C04805 KEGG Ligand
The data in this table is sourced from UniChem at EBI.