CHEBI:76540 - 1,3-dibutyrin

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ChEBI Name 1,3-dibutyrin
ChEBI ID CHEBI:76540
Definition A dibutyrin resulting from the condensation of both of the primary hydroxy groups of glycerol with butyric acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H20O5
Net Charge 0
Average Mass 232.27350
Monoisotopic Mass 232.13107
InChI InChI=1S/C11H20O5/c1-3-5-10(13)15-7-9(12)8-16-11(14)6-4-2/h9,12H,3-8H2,1-2H3
InChIKey KBWFWZJNPVZRRG-UHFFFAOYSA-N
SMILES CCCC(=O)OCC(O)COC(=O)CCC
Roles Classification
Biological Role(s): Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
(via diglyceride )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via diglyceride )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
1,3-dibutanoylglycerol ChEBI
1,3-dibutanoyloxy-2-propanol ChEBI
2-hydroxypropane-1,3-diyl dibutyrate ChEBI
3-butyryloxy-2-hydroxypropyl butyrate ChEBI
α-dibutyryn ChEBI
Registry Numbers Types Sources
17364-00-0 CAS Registry Number Reaxys
1788209 Reaxys Registry Number Reaxys
Last Modified
02 December 2013