Dataset

1-octadecanoyl-rac-glycerol

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N106431_187B contains the MS2 mass spectrum of 1-octadecanoyl-rac-glycerol with the InChIkey VBICKXHEKHSIBG-UHFFFAOYSA-N.

Chemical Info

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

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Metadata Information

Field	Value
DOI
License URL
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-METOX_N106431_187B
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:30:00.662441
MetadataModified	2024-01-11T09:30:00.839231
MetadataPublished	2022-04-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
GLYCERYL MONOSTEARATE	rxnorm
GLYCERYL 1-STEARATE	rxnorm
GLYCERYL MONOSTEARATE	DailyMed
GLYCERYL MONOSTEARATE	clinicaltrials
LMGL01010003	LipidMaps
258491E1RZ	FDA SRS
MCULE-2198239945	Mcule
DTXSID7029160	EPA CompTox Dashboard
DB11250	DrugBank
CB1966093	ChemicalBook
MTBLC75555	Metabolights
53906	Brenda
31725	Brenda
42952	Brenda
119138	Brenda
47260	Brenda
119217	Brenda
31681	Brenda
111788	Brenda
35306	Brenda
75555	Rhea
CB7234695	ChemicalBook
glyceryl monostearate	DailyMed
CB0234696	ChemicalBook
CB3234697	ChemicalBook
119146	Brenda
20096847	NMRShiftDB
J10.136B	Nikkaji
75555	ChEBI
75557	ChEBI
SCHEMBL4488	SureChEMBL
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
CHEMBL255696	ChEMBL
531564	eMolecules
The data in this table is sourced from UniChem at EBI.