RefMet Compound Details

MW structure37494 (View MW Metabolite Database details)
RefMet nameCitrulline
Systematic name(2S)-2-amino-5-(carbamoylamino)pentanoic acid
SMILESNC(=O)NCCC[C@@H](N)C(O)=O
Exact mass175.095692 (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
FormulaC6H13N3O3View other entries in RefMet with this formula
InChIInChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m0/s1
InChIKeyRHGKLRLOHDJJDR-BYPYZUCNSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID9750
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving Citrulline

Rxn IDKEGG ReactionEnzyme
R00557 2 L-Arginine + 4 Oxygen + 3 NADPH + 3 H+ <=> 2 Nitric oxide + 2 L-Citrulline + 3 NADP+ + 4 H2OL-arginine,NADPH:oxygen oxidoreductase (nitric-oxide-forming)
R11711 2 L-Arginine + 3 Reduced flavodoxin + 4 Oxygen <=> 2 L-Citrulline + 2 Nitric oxide + 3 Oxidized flavodoxin + 4 H2OL-arginine,reduced-flavodoxin:oxygen oxidoreductase (nitric-oxide-forming)
R00552 L-Arginine + H2O <=> L-Citrulline + AmmoniaL-Arginine iminohydrolase
R01954 ATP + L-Citrulline + L-Aspartate <=> AMP + Diphosphate + N-(L-Arginino)succinateL-Citrulline:L-aspartate ligase (AMP-forming)
R01398 Carbamoyl phosphate + L-Ornithine <=> Orthophosphate + L-CitrullineCarbamoyl-phosphate:L-ornithine carbamoyltransferase

Table of KEGG human pathways containing Citrulline

Pathway IDHuman Pathway# of reactions
hsa00220 Arginine biosynthesis 3
hsa01100 Metabolic pathways 2
hsa01230 Biosynthesis of amino acids 2
hsa00250 Alanine, aspartate and glutamate metabolism 1
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