RefMet Compound Details

RefMet ID	RM0153498
MW structure	25 (View MW Metabolite Database details)
RefMet name	Propionic acid
Alternative name	FA 3:0
Systematic name	propanoic acid
SMILES	CCC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	FA 3:0	View other entries in RefMet with this sum composition
Exact mass	74.036780 (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	C3H6O2	View other entries in RefMet with this formula
InChI	InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
InChIKey	XBDQKXXYIPTUBI-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	1032
ChEBI ID	30768
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Propionic acid

Rxn ID	KEGG Reaction	Enzyme
R00920	ATP + Propanoate + CoA <=> ADP + Orthophosphate + Propanoyl-CoA	propanoate:CoA ligase (ADP-forming)
R00925	ATP + Propanoate + CoA <=> AMP + Diphosphate + Propanoyl-CoA	Propanoate:CoA ligase (AMP-forming)
R00928	Acetyl-CoA + Propanoate <=> Acetate + Propanoyl-CoA	Acetyl-CoA:propanoate CoA-transferase
R01354	ATP + Propanoate <=> Diphosphate + Propionyladenylate	ATP:propanoate adenylyltransferase

Table of KEGG human pathways containing Propionic acid

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	3
hsa00640	Propanoate metabolism	1