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CHEBI:88828 - isooctanediol dibutyrate

ChEBI IDCHEBI:88828
ChEBI Nameisooctanediol dibutyrate
Stars
DefinitionA diester that is isooctane (2,2,4-trimethylpentane) in which two of the hydrogens (positions not specified) have been replaced by butyryloxy groups. Tentatively identified in human saliva and previously found on human skin.
Last Modified23 January 2020
FormulaC16H30O4
Net Charge0
Average Mass286.407
Monoisotopic Mass286.21441
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
isooctanediol dibutyrate (CHEBI:88828) has functional parent butyric acid (CHEBI:30772)
isooctanediol dibutyrate (CHEBI:88828) has parent hydride isooctane (CHEBI:62805)
isooctanediol dibutyrate (CHEBI:88828) has role human metabolite (CHEBI:77746)
isooctanediol dibutyrate (CHEBI:88828) is a diester (CHEBI:51307)
isooctanediol dibutyrate (CHEBI:88828) is a volatile organic compound (CHEBI:134179)
Synonyms  Source
isooctanediyl dibutanoateChEBI
2,2,4-trimethylpentanediyl dibutanoateChEBI
2,2,4-trimethylpentanediyl dibutyrateChEBI
isooctanediyl dibutyrateChEBI
Manual XrefsDatabases
HMDB0061936HMDB
Citations