Dataset

1,2-Dipalmitoyl-rac-glycerol

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N103824_02B7 contains the MS2 mass spectrum of 1,2-Dipalmitoyl-rac-glycerol with the InChIkey JEJLGIQLPYYGEE-XIFFEERXSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C35H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(37)39-32-33(31-36)40-35(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,36H,3-32H2,1-2H3/t33-/m0/s1
SMILES [H][C@](CO)(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
InChI Key JEJLGIQLPYYGEE-XIFFEERXSA-N
Molecular Formula C35H68O5
Exact Mass 568.507 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N103824_02B7
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:31:44.443708
MetadataModified 2024-01-11T09:31:44.629130
MetadataPublished 2022-04-07
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
MTBLC82929 Metabolights
CB6228239 ChemicalBook
82929 Rhea
SLM:000118523 SwissLipids
46251 Brenda
ZINC000040164684 ZINC
HMDB0007098 Human Metabolome Database
PALGLC CCDC
Z41 PDBe
LMGL02010009 LipidMaps
233272 Brenda
HY-W010736 MedChemExpress
60145842 NMRShiftDB
PD019870 ProbesDrugs
15532233 PubChem: Thomson Pharma
CB4228240 ChemicalBook
82929 ChEBI
644078 PubChem
J347.938B Nikkaji
SCHEMBL594854 SureChEMBL
CHEMBL87852 ChEMBL
507098 eMolecules
The data in this table is sourced from UniChem at EBI.