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Chemical Report for: Isovalerate

Isovalerate	Type	Fatty acid
	Other_Name (7)
	Chemical_Nomenclature	3-methylbutanoic acid
	Formula	C5H10O2
	CAS_number	503-74-2
	Structure	1UK9
	MW	102.13
	Paper	Sagiroglu_2004_Prep.Biochem.Biotechnol_34_169
		Fushinobu_2005_Biosci.Biotechnol.Biochem_69_491
		Dandavate_2008_J.Microbiol.Biotechnol_18_735
	Comment	Isovaleric acid, is a natural fatty acid found in a wide variety of plants and essential oils. Product of hydolysis of HODA-6-methyl (methyl-HODA) by Carbon-carbon_bond_hydrolase psefl-cumD
	CID	10430
	Family	Carbon-carbon_bond_hydrolase
		Fungal-Bact_LIP
	Gene_locus	psefl-cumD
		gibza-Q8J2V5
	InChIKey	GWYFCOCPABKNJV-UHFFFAOYSA-N
	CanonicalSMILES	CC(C)CC(=O)O
	InChI	InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)