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CHEBI:177530 - (2S)-3-Hydroxy-1,2-propanediyl dibutanoate

Default Structure
ChEBI IDCHEBI:177530
ChEBI Name(2S)-3-Hydroxy-1,2-propanediyl dibutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H20O5
Net Charge0
Average Mass232.276
Monoisotopic Mass232.13107
SMILESCCCC(=O)OC[C@H](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/t9-/m0/s1
InChIKeyAWHAUPZHZYUHOM-VIFPVBQESA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
(2S)-3-Hydroxy-1,2-propanediyl dibutanoate (CHEBI:177530) is a 1,2-diglyceride (CHEBI:49172)
IUPAC Name 
[(2S)-2-butanoyloxy-3-hydroxypropyl] butanoate
Manual XrefsDatabases
4484276ChemSpider