Dataset

Tripalmitin

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N105116_9EE2 contains the MS2 mass spectrum of Tripalmitin with the InChIkey PVNIQBQSYATKKL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3
SMILES [H]C(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI Key PVNIQBQSYATKKL-UHFFFAOYSA-N
Molecular Formula C51H98O6
Exact Mass 806.736 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N105116_9EE2
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:22.940111
MetadataModified 2024-01-11T09:31:23.087967
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
4RF PDBe
247991 Brenda
SUWMAY CCDC
SCHEMBL24941 SureChEMBL
TRIPALMITIN rxnorm
77393 ChEBI
HY-W013061 MedChemExpress
TRIPALMITIN clinicaltrials
J6.469F Nikkaji
LMGL03010001 LipidMaps
6696 Brenda
DTXSID8046169 EPA CompTox Dashboard
77393 Rhea
ZINC000008214701 ZINC
CB9163652 ChemicalBook
171415 Brenda
4874 Brenda
HMDB0005356 Human Metabolome Database
SLM:000138121 SwissLipids
123227 Brenda
532909 eMolecules
11147 PubChem
14840638 PubChem: Thomson Pharma
555-44-2 ACToR
CHEMBL2002154 ChEMBL
D133ZRF50U FDA SRS
PD014274 ProbesDrugs
60030519 NMRShiftDB
The data in this table is sourced from UniChem at EBI.