CHEBI:31726 - isoamyl formate

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ChEBI Name isoamyl formate ChEBI ID CHEBI:31726 Definition The formate ester of isoamylol. 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 C6H12O2 Net Charge 0 Average Mass 116.15830 Monoisotopic Mass 116.08373 InChI InChI=1S/C6H12O2/c1-6(2)3-4-8-5-7/h5-6H,3-4H2,1-2H3 InChIKey XKYICAQFSCFURC-UHFFFAOYSA-N SMILES [H]C(=O)OCCC(C)C ChEBI Ontology Outgoing isoamyl formate (CHEBI:31726) has functional parent isoamylol (CHEBI:15837) isoamyl formate (CHEBI:31726) is a formate ester (CHEBI:52343) IUPAC Name 3-methylbutyl formate Synonyms Sources Formic acid, isopentyl ester ChemIDplus Isoamyl formate KEGG COMPOUND Isoamyl methanoate ChemIDplus Isopentyl formate ChemIDplus Isopentyl methanoate ChemIDplus Manual Xrefs Databases C12293 KEGG COMPOUND HMDB0034163 HMDB View more database links Registry Numbers Types Sources 110-45-2 CAS Registry Number KEGG COMPOUND 110-45-2 CAS Registry Number NIST Chemistry WebBook 110-45-2 CAS Registry Number ChemIDplus 1739893 Reaxys Registry Number Reaxys Citation Type Source 24001840 PubMed citation Europe PMC Last Modified 17 February 2014