CHEBI:76503 - monobutyrin

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ChEBI Name monobutyrin
ChEBI ID CHEBI:76503
Definition A 1-monoglyceride resulting from the formal esterification of butyric acid with one of the primary hydroxy groups of glycerol. The R enantiomer is bioactive.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter anna
Supplier Information
Download Molfile XML SDF
Formula C7H14O4
Net Charge 0
Average Mass 162.18370
Monoisotopic Mass 162.08921
InChI InChI=1S/C7H14O4/c1-2-3-7(10)11-5-6(9)4-8/h6,8-9H,2-5H2,1H3
InChIKey RIEABXYBQSLTFR-UHFFFAOYSA-N
SMILES CCCC(=O)OCC(O)CO
ChEBI Ontology
Outgoing 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 Sources
1-butyrylglycerol UniProt
1-mono-n-butyrin NIST Chemistry WebBook
1-monobutyrin NIST Chemistry WebBook
1-O-(butyryl)glycerol ChEBI
2,3-dihydroxypropyl butanoate ChEBI
2,3-Dihydroxypropylbutyrat SUBMITTER
3-butyryloxypropane-1,2-diol ChEBI
α-monobutyrin ChemIDplus
butanoic acid 2,3-dihydroxypropyl ester ChemIDplus
Butyrate de 2,3-dihydroxypropyle SUBMITTER
glycerol-α-mono-n-butyrate ChemIDplus
mono-n-butyrin NIST Chemistry WebBook
Registry Numbers Types Sources
1722798 Reaxys Registry Number Reaxys
557-25-5 CAS Registry Number ChemIDplus
557-25-5 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
14938210 PubMed citation SUBMITTER
15320786 PubMed citation SUBMITTER
1885616 PubMed citation Europe PMC
3821138 PubMed citation SUBMITTER
5947037 PubMed citation SUBMITTER
Last Modified
26 August 2015