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CHEBI:76540 - 1,3-dibutyrin

ChEBI IDCHEBI:76540
ChEBI Name1,3-dibutyrin
Stars
DefinitionA dibutyrin resulting from the condensation of both of the primary hydroxy groups of glycerol with butyric acid.
Last Modified2 December 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H20O5
Net Charge0
Average Mass232.276
Monoisotopic Mass232.13107
SMILESCCCC(=O)OCC(O)COC(=O)CCC
InChIInChI=1S/C11H20O5/c1-3-5-10(13)15-7-9(12)8-16-11(14)6-4-2/h9,12H,3-8H2,1-2H3
InChIKeyKBWFWZJNPVZRRG-UHFFFAOYSA-N
Roles Classification
Biological Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,3-dibutyrin (CHEBI:76540) is a dibutyrin (CHEBI:76478)
1,3-dibutyrin (CHEBI:76540) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
2-hydroxypropane-1,3-diyl dibutanoate
Synonyms  Source
2-hydroxypropane-1,3-diyl dibutyrateChEBI
1,3-dibutanoylglycerolChEBI
3-butyryloxy-2-hydroxypropyl butyrateChEBI
1,3-dibutanoyloxy-2-propanolChEBI
α-dibutyrynChEBI
Registry NumbersSources
Reaxys:1788209Reaxys
CAS:17364-00-0Reaxys