RefMet Compound Details

MW structure38341 (View MW Metabolite Database details)
RefMet name4-Guanidinobutanoic acid
Systematic name4-[(diaminomethylidene)amino]butanoic acid
SMILESNC(=N)NCCCC(O)=O
Exact mass145.085127 (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
FormulaC5H11N3O2View other entries in RefMet with this formula
InChIInChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
InChIKeyTUHVEAJXIMEOSA-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID500
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 4-Guanidinobutanoic acid

Rxn IDKEGG ReactionEnzyme
R01989 L-Arginine + 4-Aminobutanoate <=> L-Ornithine + 4-GuanidinobutanoateL-Arginine:4-aminobutanoate amidinotransferase
R01990 4-Guanidinobutanoate + H2O <=> 4-Aminobutanoate + Urea4-Guanidinobutanoate amidinohydrolase

Table of KEGG human pathways containing 4-Guanidinobutanoic acid

Pathway IDHuman Pathway# of reactions
hsa00330 Arginine and proline metabolism 1
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