Dataset

Triacylglycerol 16:0-16:0-16:0

This MassBank record with Accession MSBNK-Chubu_Univ-UT000561 contains the MS mass spectrum of Triacylglycerol 16:0-16:0-16:0 with the InChIkey PVNIQBQSYATKKL-UHFFFAOYSA-N.

Chemical Info

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	C(CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CC
InChI Key	PVNIQBQSYATKKL-UHFFFAOYSA-N
Molecular Formula	C51H98O6
Exact Mass	806.736 g/mol

Data and Resources

Triacylglycerol 16:0-16:0-16:0HTML
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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-UT000561
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T12:48:17.245866
MetadataModified	2024-01-11T12:48:17.404669
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CB9163652	ChemicalBook
77393	Rhea
6696	Brenda
123227	Brenda
171415	Brenda
4874	Brenda
HMDB0005356	Human Metabolome Database
SLM:000138121	SwissLipids
ZINC000008214701	ZINC
DTXSID8046169	EPA CompTox Dashboard
LMGL03010001	LipidMaps
532909	eMolecules
14840638	PubChem: Thomson Pharma
555-44-2	ACToR
CHEMBL2002154	ChEMBL
D133ZRF50U	FDA SRS
PD014274	ProbesDrugs
60030519	NMRShiftDB
SCHEMBL24941	SureChEMBL
77393	ChEBI
11147	PubChem
4RF	PDBe
TRIPALMITIN	clinicaltrials
HY-W013061	MedChemExpress
TRIPALMITIN	rxnorm
247991	Brenda
SUWMAY	CCDC
J6.469F	Nikkaji
The data in this table is sourced from UniChem at EBI.