RefMet Compound Details

MW structure	37129 (View MW Metabolite Database details)
RefMet name	Anserine
Systematic name	(2S)-2-(3-aminopropanamido)-3-(1-methyl-1H-imidazol-5-yl)propanoic acid
SMILES	Cn1cncc1C[C@@H](C(=O)O)NC(=O)CCN   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	240.122241 (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	C10H16N4O3	View other entries in RefMet with this formula
InChI	InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1
InChIKey	MYYIAHXIVFADCU-QMMMGPOBSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	Amino acids and peptides
Sub Class	Dipeptides
Pubchem CID	112072
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Anserine

Rxn ID	KEGG Reaction	Enzyme
R02144	S-Adenosyl-L-methionine + Carnosine <=> S-Adenosyl-L-homocysteine + beta-Alanyl-N(pi)-methyl-L-histidine	S-adenosyl-L-methionine:carnosine N-methyltransferase
R03288	beta-Alanyl-N(pi)-methyl-L-histidine + H2O <=> beta-Alanine + N(pi)-Methyl-L-histidine	beta-alanyl-N(pi)-methyl-L-histidine hydrolase
R03286	ATP + N(pi)-Methyl-L-histidine + beta-Alanine <=> ADP + Orthophosphate + beta-Alanyl-N(pi)-methyl-L-histidine	N(pi)-methyl-L-histidine:beta-alanine ligase (ADP-forming)

Table of KEGG human pathways containing Anserine

Pathway ID	Human Pathway	# of reactions
hsa00340	Histidine metabolism	2
hsa00410	beta-Alanine metabolism	2