Dataset

1-octadecenoyl-rac-glycerol

This MassBank record with Accession MSBNK-Antwerp_Univ-METOX_N106518_2347 contains the MS2 mass spectrum of 1-octadecenoyl-rac-glycerol with the InChIkey RZRNAYUHWVFMIP-KTKRTIGZSA-N.

Chemical Info

InChI	InChI=1S/C21H40O4/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/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O
InChI Key	RZRNAYUHWVFMIP-KTKRTIGZSA-N
Molecular Formula	C21H40O4
Exact Mass	356.293 g/mol

Data and Resources

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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_N106518_2347
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T09:41:08.168242
MetadataModified	2025-02-08T18:51:53.767745
MetadataPublished	2022-04-07
Related Molecule

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
60067539	NMRShiftDB
PD046619	ProbesDrugs
14778834	PubChem: Thomson Pharma
117628-77-0	ACToR
56433	Brenda
515475	eMolecules
10921	Brenda
102055	Brenda
139638	Brenda
19869	Brenda
99721	Brenda
59247	Brenda
198847	Brenda
75342	Rhea
CB2757258	ChemicalBook
CB5757259	ChemicalBook
MTBLC75342	Metabolights
125614	Brenda
DB13171	DrugBank
6409	Brenda
50981	Brenda
167295	Brenda
130187	Brenda
6556	Brenda
SCHEMBL15603	SureChEMBL
75342	ChEBI
CHEMBL428593	ChEMBL
98221	Brenda
J5.104G	Nikkaji
1-GLYCERYL MONOOLEATE	rxnorm
HY-128754	MedChemExpress
D3AEF6S35P	FDA SRS
233316	Brenda
50529937	BindingDB
MCULE-9846233643	Mcule
DTXSID3042003	EPA CompTox Dashboard
LMGL01010005	LipidMaps
5756	Guide to Pharmacology
30984	Brenda
99722	Brenda
A6L	PDBe
5283468	PubChem
The data in this table is sourced from UniChem at EBI.