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CHEBI:76537 - 1,2-dibutyrin

ChEBI IDCHEBI:76537
ChEBI Name1,2-dibutyrin
Stars
DefinitionA dibutyrin resulting from the condensation the secondary hydroxy group and one of the primary hydroxy groups of glycerol with butyric acid.
Last Modified14 June 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H20O5
Net Charge0
Average Mass232.276
Monoisotopic Mass232.13107
SMILESCCCC(=O)OCC(CO)OC(=O)CCC
InChIInChI=1S/C11H20O5/c1-3-5-10(13)15-8-9(7-12)16-11(14)6-4-2/h9,12H,3-8H2,1-2H3
InChIKeyAWHAUPZHZYUHOM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mycoplasma genitalium (ncbitaxon:2097) - PubMed (22817898)
Roles Classification
Biological Roles:
Mycoplasma genitalium metabolite  Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
ChEBI Ontology
Outgoing Relation(s)
1,2-dibutyrin (CHEBI:76537) has role Mycoplasma genitalium metabolite (CHEBI:131604)
1,2-dibutyrin (CHEBI:76537) is a dibutyrin (CHEBI:76478)
1,2-dibutyrin (CHEBI:76537) is a primary alcohol (CHEBI:15734)
IUPAC Name 
3-hydroxypropane-1,2-diyl dibutanoate
Synonyms  Source
2,3-dibutyrinChEBI
(2-butanoyloxy-3-hydroxypropyl) butanoateChEBI
glycerin-1,2-dibutyrateMetaCyc
glycerin-α,β-dibutyrinChEBI
glycerol-1,2-dibutanoateChEBI
glycerol-1,2-dibutyrateChEBI
Manual XrefsDatabases
CPD-13040MetaCyc
Registry NumbersSources
Reaxys:1726810Reaxys
CAS:32648-01-4ChEBI
Citations