RefMet Compound Details

MW structure	26 (View MW Metabolite Database details)
RefMet name	Butyric acid
Alternative name	FA 4:0
Systematic name	Butanoic acid
SMILES	CCCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	FA 4:0	View other entries in RefMet with this sum composition
Exact mass	88.052430 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C4H8O2	View other entries in RefMet with this formula
InChI	InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
InChIKey	FERIUCNNQQJTOY-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Saturated FA
Pubchem CID	264
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Butyric acid

Rxn ID	KEGG Reaction	Enzyme
R01176	ATP + Butanoic acid + CoA <=> AMP + Diphosphate + Butanoyl-CoA	Butanoate:CoA ligase (AMP-forming)
R01179	Butanoyl-CoA + Acetate <=> Butanoic acid + Acetyl-CoA	butanoyl-CoA:acetate CoA-transferase

Table of KEGG human pathways containing Butyric acid

Pathway ID	Human Pathway	# of reactions
hsa00650	Butanoate metabolism	1
hsa01100	Metabolic pathways	1