CHEBI:76537 - 1,2-dibutyrin

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ChEBI Name 1,2-dibutyrin ChEBI ID CHEBI:76537 Definition A dibutyrin resulting from the condensation the secondary hydroxy group and one of the primary hydroxy groups of glycerol with butyric acid. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C11H20O5 Net Charge 0 Average Mass 232.27350 Monoisotopic Mass 232.13107 InChI InChI=1S/C11H20O5/c1-3-5-10(13)15-8-9(7-12)16-11(14)6-4-2/h9,12H,3-8H2,1-2H3 InChIKey AWHAUPZHZYUHOM-UHFFFAOYSA-N SMILES CCCC(=O)OCC(CO)OC(=O)CCC Metabolite of Species Details Mycoplasma genitalium (NCBI:txid2097) See: PubMed Roles Classification Biological Role(s): Mycoplasma genitalium metabolite Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium. 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 1,2-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 Sources (2-butanoyloxy-3-hydroxypropyl) butanoate ChEBI 2,3-dibutyrin ChEBI α,β-dibutyrine ChEBI β-dibutyrin MetaCyc glycerin-1,2-dibutyrate MetaCyc glycerin-α,β-dibutyrin ChEBI glycerol-1,2-dibutanoate ChEBI glycerol-1,2-dibutyrate ChEBI glycerol-α,β-dibutanozte ChEBI glycerol-α,β-dibutyrate ChEBI glycerol-α,β-dibutyrin ChEBI Manual Xref Database CPD-13040 MetaCyc View more database links Registry Numbers Types Sources 1726810 Reaxys Registry Number Reaxys 32648-01-4 CAS Registry Number ChEBI Citation Type Source 22817898 PubMed citation Europe PMC Last Modified 14 June 2016