Dataset

1-octadecanoyl-rac-glycerol

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N106432_3B51 contains the MS2 mass spectrum of 1-octadecanoyl-rac-glycerol with the InChIkey VBICKXHEKHSIBG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h20,22-23H,2-19H2,1H3
SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChI Key VBICKXHEKHSIBG-UHFFFAOYSA-N
Molecular Formula C21H42O4
Exact Mass 358.308 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N106432_3B51
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T09:36:29.748636
MetadataModified 2025-02-08T18:50:07.369577
MetadataPublished 2022-04-09
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
24699 PubChem
14901292 PubChem: Thomson Pharma
31566-31-1 ACToR
100041-47-2 ACToR
22610-63-5 ACToR
PD013888 ProbesDrugs
14811-92-8 ACToR
83138-62-9 ACToR
123-94-4 ACToR
531564 eMolecules
75557 ChEBI
SCHEMBL4488 SureChEMBL
20096847 NMRShiftDB
75555 ChEBI
119138 Brenda
47260 Brenda
119217 Brenda
31681 Brenda
111788 Brenda
35306 Brenda
75555 Rhea
CB7234695 ChemicalBook
glyceryl monostearate DailyMed
CB3234697 ChemicalBook
CB0234696 ChemicalBook
MTBLC75555 Metabolights
53906 Brenda
42952 Brenda
31725 Brenda
258491E1RZ FDA SRS
MCULE-2198239945 Mcule
DTXSID7029160 EPA CompTox Dashboard
LMGL01010003 LipidMaps
J10.136B Nikkaji
GLYCERYL MONOSTEARATE DailyMed
GLYCERYL MONOSTEARATE rxnorm
GLYCERYL 1-STEARATE rxnorm
GLYCERYL MONOSTEARATE clinicaltrials
DB11250 DrugBank
119146 Brenda
CB1966093 ChemicalBook
CHEMBL255696 ChEMBL
The data in this table is sourced from UniChem at EBI.