RefMet Compound Details

MW structure37157 (View MW Metabolite Database details)
RefMet namePorphobilinogen
Systematic name3-[5-(aminomethyl)-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid
SMILESNCc1[nH]cc(CCC(=O)O)c1CC(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass226.095358 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC10H14N2O4View other entries in RefMet with this formula
InChIKeyQSHWIQZFGQKFMA-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic nitrogen compounds
Main ClassAmines
Sub ClassAralkylamines
Pubchem CID1021
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Porphobilinogen

Rxn IDKEGG ReactionEnzyme
R00036 2 5-Aminolevulinate <=> Porphobilinogen + 2 H2O5-aminolevulinate hydro-lyase (adding 5-aminolevulinate and cyclizing
R00084 4 Porphobilinogen + H2O <=> Hydroxymethylbilane + 4 Ammoniaporphobilinogen:(4-[2-carboxyethyl]-3-[carboxymethyl]pyrrol-2-yl)methyltransferase (hydrolysing)

Table of KEGG human pathways containing Porphobilinogen

Pathway IDHuman Pathway# of reactions
hsa00860 Porphyrin and chlorophyll metabolism 2