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CHEBI:75456 - 2-stearoylglycerol

ChEBI IDCHEBI:75456
ChEBI Name2-stearoylglycerol
Stars
DefinitionA 2-monoglyceride where the acyl group is octadecanoyl (stearoyl).
Last Modified18 May 2017
Submitterlaimo
DownloadsMolfile
FormulaC21H42O4
Net Charge0
Average Mass358.563
Monoisotopic Mass358.30831
SMILESCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChIInChI=1S/C21H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-20(18-22)19-23/h20,22-23H,2-19H2,1H3
InChIKeyYQEMORVAKMFKLG-UHFFFAOYSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-stearoylglycerol (CHEBI:75456) has functional parent octadecanoic acid (CHEBI:28842)
2-stearoylglycerol (CHEBI:75456) is a 2-acylglycerol 18:0 (CHEBI:134140)
IUPAC Name 
1,3-dihydroxypropan-2-yl octadecanoate
Synonyms  Source
MG (0:0/18:0/0:0)SUBMITTER
2-stearoylglycerolChemIDplus
2-stearoyloxy-propane-1,3-diolChEBI
glycerine monostearateChEBI
1,3-dihydroxypropan-2-yl stearateChEBI
2-octadecanoyloxy-propane-1,3-diolChEBI
UniProt Name  Source
2-octadecanoylglycerolUniProt
Manual XrefsDatabases
CN101416677Patent
WO2005053622Patent
Registry NumbersSources
Reaxys:1799576Reaxys
CAS:621-61-4ChemIDplus
Citations