1-Stearoylglycerol

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Systematic / IUPAC Name: 2,3-Dihydroxypropyl stearate

ID: Reference939

Other Names: Octadecanoic acid, 2,3-dihydroxypropyl ester;
Stearic acid 1-monoglyceride;
3-Stearoyloxy-1,2-propanediol;
2,3-Dihydroxypropyl octadecanoate;
Rac-2,3-dihydroxypropyl octadecanoate ; more

Formula: C21H42O4

Class: Endogenous Metabolites Excipients/Additives/Colorants

Spectral Data

1-Stearoylglycerol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 71
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/2/2015 10:34:38 AM
View Mass Spec Data > >

Identificators

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
InChI Key VBICKXHEKHSIBG-UHFFFAOYSA-N
Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
CAS 123944
Splash
Other Names Octadecanoic acid, 2,3-dihydroxypropyl ester;
Stearic acid 1-monoglyceride;
3-Stearoyloxy-1,2-propanediol;
2,3-Dihydroxypropyl octadecanoate;
Rac-2,3-dihydroxypropyl octadecanoate;
Tegin;
Stearin, 1-mono-;
1-Monostearin;
α-Monostearin;
Glycerin 1-monostearate;
1-Glyceryl stearate;
Glycerin 1-stearate;
1-Monostearoylglycerol;
Emerest ;
Glycerol 1-monostearate;
Glycerol α-monostearate;
Rac-glycerol 1-stearate;
DL-α-Stearin;
Glyceryl-1-monostearate;
Rac-glyceryl monostearate

In Other Databases

PubChem 24699
LipidsMAPs LMGL01010003
Wikipedia Glycerol monostearate
KEGG D01947
ChEBI CHEBI:75555; CHEBI:75557
ChemIDPlus 000123944; 031566311; 014811928; 083138629
ChemSpider 23095
ChEMBL CHEMBL255696