RefMet Compound Details

RefMet ID	RM0136022
MW structure	37494 (View MW Metabolite Database details)
RefMet name	Citrulline
Systematic name	(2S)-2-amino-5-(carbamoylamino)pentanoic acid
SMILES	C(C[C@@H](C(=O)O)N)CNC(=O)N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	175.095692 (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	C6H13N3O3	View other entries in RefMet with this formula
InChI	InChI=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
InChIKey	RHGKLRLOHDJJDR-BYPYZUCNSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Amino acids
Pubchem CID	9750
ChEBI ID	16349
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Citrulline

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

Table of KEGG human pathways containing Citrulline

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