Dataset

LipoxinA4

This MassBank record with Accession MSBNK-Chubu_Univ-UT000330 contains the MS2 mass spectrum of LipoxinA4 with the InChIkey IXAQOQZEOGMIQS-SSQFXEBMSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1
SMILES CCCCC[C@@H](/C=C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)O)O
InChI Key IXAQOQZEOGMIQS-SSQFXEBMSA-N
Molecular Formula C20H32O5
Exact Mass 352.225 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-UT000330
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:49:56.158765
MetadataModified 2024-01-11T12:49:56.306958
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
50520816 BindingDB
SCHEMBL2237216 SureChEMBL
1034 Guide to Pharmacology
J138.388D Nikkaji
ZINC000004097074 ZINC
LMFA03040001 LipidMaps
CHEMBL392438 ChEMBL
C06314 KEGG Ligand
6498 ChEBI
HMDB0004385 Human Metabolome Database
23341 Brenda
MTBLC6498 Metabolights
539943 eMolecules
5280914 PubChem
60020918 NMRShiftDB
F7C6J3D79J FDA SRS
14900949 PubChem: Thomson Pharma
14925511 PubChem: Thomson Pharma
PD018235 ProbesDrugs
The data in this table is sourced from UniChem at EBI.