CHEBI:88828 - isooctanediol dibutyrate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name isooctanediol dibutyrate ChEBI ID CHEBI:88828 Definition A diester that is isooctane (2,2,4-trimethylpentane) in which two of the hydrogens (positions not specified) have been replaced by butyryloxy groups.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. Stars This entity has been manually annotated by the ChEBI Team. Formula C16H30O4 Net Charge 0 Average Mass 286.407 Monoisotopic Mass 286.214409 Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 2,2,4-trimethylpentanediyl dibutanoate ChEBI 2,2,4-trimethylpentanediyl dibutyrate ChEBI isooctanediyl dibutanoate ChEBI isooctanediyl dibutyrate ChEBI Manual Xref Database HMDB0061936 HMDB View more database links Citation Type Source 20809147 PubMed citation Europe PMC Last Modified 23 January 2020