Dataset

15-HETE

This MassBank record with Accession MSBNK-Chubu_Univ-UT000110 contains the MS2 mass spectrum of 15-HETE with the InChIkey JSFATNQSLKRBCI-VAEKSGALSA-N.

Chemical Info

InChI	InChI=1S/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14+/t19-/m0/s1
SMILES	CCCCC[C@@H](/C=C/C=C\C/C=C\C/C=C\CCCC(=O)O)O
InChI Key	JSFATNQSLKRBCI-VAEKSGALSA-N
Molecular Formula	C20H32O3
Exact Mass	320.235 g/mol

Data and Resources

15-HETEHTML
Explore
- More information
- Go to resource

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-UT000110
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:49:40.899721
MetadataModified	2025-02-09T09:01:02.996828
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
C04742	KEGG Ligand
CHEMBL594621	ChEMBL
15558	ChEBI
50421764	BindingDB
LMFA03060001	LipidMaps
J303.917J	Nikkaji
3401	Guide to Pharmacology
44JHK6G39Q	FDA SRS
15469965	PubChem: Thomson Pharma
5280724	PubChem
PD018253	ProbesDrugs
14850504	PubChem: Thomson Pharma
54845-95-3	ACToR
244163	Brenda
1934471	eMolecules
ZINC000004629861	ZINC
197977	Brenda
90233	Brenda
36470	Brenda
145654	Brenda
MTBLC15558	Metabolights
44942	Brenda
HMDB0003876	Human Metabolome Database
112062	Brenda
SCHEMBL994674	SureChEMBL
The data in this table is sourced from UniChem at EBI.