CHEBI:89871 - 2,2,4-Trimethyl-1,3-pentadienol diisobutyrate

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ChEBI Name 2,2,4-Trimethyl-1,3-pentadienol diisobutyrate ChEBI ID CHEBI:89871 Stars This entity has been manually annotated by a third party. 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 C16H30O4 Net Charge 0 Average Mass 286.408 Monoisotopic Mass 286.21441 InChI InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3 InChIKey OMVSWZDEEGIJJI-UHFFFAOYSA-N SMILES O=C(OCC(C(OC(=O)C(C)C)C(C)C)(C)C)C(C)C Metabolite of Species Details Homo sapiens (NCBI:txid9606) Found in urine (BTO:0001419). See: PubMed Homo sapiens (NCBI:txid9606) Found in faeces (UBERON:0001988). See: PubMed ChEBI Ontology Outgoing 2,2,4-Trimethyl-1,3-pentadienol diisobutyrate (CHEBI:89871) is a diester (CHEBI:51307) Synonym Source 2,2,4-trimethyl-1-[(2-methylpropanoyl)oxy]pentan-3-yl 2-methylpropanoate HMDB Manual Xref Database HMDB0059777 HMDB View more database links Citations Types Sources 22284503 PubMed citation Europe PMC 23454028 PubMed citation Europe PMC Last Modified 26 June 2019