RefMet Compound Details

RefMet ID	RM0139419
MW structure	37373 (View MW Metabolite Database details)
RefMet name	Hydroxypropionic acid
Alternative name	FA 3:0;OH
Systematic name	3-hydroxypropanoic acid
SMILES	C(CO)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum Composition	FA 3:0;O	View other entries in RefMet with this sum composition
Exact mass	90.031695 (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	C3H6O3	View other entries in RefMet with this formula
InChI	InChI=1S/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
InChIKey	ALRHLSYJTWAHJZ-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Hydroxy FA
Pubchem CID	68152
ChEBI ID	33404
Annotation level	2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Hydroxypropionic acid

Rxn ID	KEGG Reaction	Enzyme
R03158	3-Hydroxypropanoate + CoA <=> 3-Hydroxypropionyl-CoA + H2O	3-Hydroxypropanoate + CoA <=> 3-Hydroxypropionyl-CoA + H2O
R09286	3-Hydroxypropionyl-CoA + Diphosphate + AMP <=> 3-Hydroxypropanoate + CoA + ATP	3-hydroxypropionate:CoA ligase (AMP-forming)

Table of KEGG human pathways containing Hydroxypropionic acid

Pathway ID	Human Pathway	# of reactions
hsa00410	beta-Alanine metabolism	1
hsa00640	Propanoate metabolism	1
hsa01100	Metabolic pathways	1
hsa01200	Carbon metabolism	1