Dataset

LTB4

This MassBank record with Accession MSBNK-Chubu_Univ-UT000285 contains the MS2 mass spectrum of LTB4 with the InChIkey VNYSSYRCGWBHLG-AMOLWHMGSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
SMILES CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CCCC(=O)O)O)O
InChI Key VNYSSYRCGWBHLG-AMOLWHMGSA-N
Molecular Formula C20H32O4
Exact Mass 336.230 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-UT000285
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T12:46:51.134260
MetadataModified 2024-01-11T12:46:51.287822
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5280492 PubChem
60020616 NMRShiftDB
15316444 PubChem: Thomson Pharma
14753488 PubChem: Thomson Pharma
PD020565 ProbesDrugs
2487 Guide to Pharmacology
SCHEMBL2510602 SureChEMBL
LTB PDBe
J240.041C Nikkaji
CB7159905 ChemicalBook
50013889 BindingDB
LMFA03020001 LipidMaps
ZINC000004623738 ZINC
HY-107608 MedChemExpress
DB12961 DrugBank
1HGW4DR56D FDA SRS
HMDB0001085 Human Metabolome Database
154388 Brenda
153404 Brenda
MTBLC15647 Metabolights
C02165 KEGG Ligand
CHEMBL65061 ChEMBL
15647 ChEBI
539941 eMolecules
The data in this table is sourced from UniChem at EBI.