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CHEBI:76503 - monobutyrin

ChEBI IDCHEBI:76503
ChEBI Namemonobutyrin
Stars
DefinitionA 1-monoglyceride resulting from the formal esterification of butyric acid with one of the primary hydroxy groups of glycerol. The R enantiomer is bioactive.
Last Modified26 August 2015
Submitteranna
DownloadsMolfile
FormulaC7H14O4
Net Charge0
Average Mass162.185
Monoisotopic Mass162.08921
SMILESCCCC(=O)OCC(O)CO
InChIInChI=1S/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3
InChIKeyRIEABXYBQSLTFR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
monobutyrin (CHEBI:76503) has functional parent butyric acid (CHEBI:30772)
monobutyrin (CHEBI:76503) is a 1-monoglyceride (CHEBI:35759)
monobutyrin (CHEBI:76503) is a butyrate ester (CHEBI:50477)
monobutyrin (CHEBI:76503) is a diol (CHEBI:23824)
monobutyrin (CHEBI:76503) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
2,3-dihydroxypropyl butyrate
Synonyms  Source
2,3-DihydroxypropylbutyratSUBMITTER
Butyrate de 2,3-dihydroxypropyleSUBMITTER
butanoic acid 2,3-dihydroxypropyl esterChemIDplus
α-monobutyrinChemIDplus
glycerol-α-mono-n-butyrateChemIDplus
1-mono-n-butyrinNIST Chemistry WebBook
UniProt Name  Source
1-butyrylglycerolUniProt
Registry NumbersSources
Reaxys:1722798Reaxys
CAS:557-25-5ChemIDplus
CAS:557-25-5NIST Chemistry WebBook
Citations