RefMet Compound Details

RefMet ID	RM0037601
MW structure	78599 (View MW Metabolite Database details)
RefMet name	Carbamoylaspartate
Systematic name	N-Carbamoyl-L-aspartate
SMILES	C([C@@H](C(=O)O)NC(=O)N)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	176.043323 (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	C5H8N2O5	View other entries in RefMet with this formula
InChI	InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)/t2-/m0/s1
InChIKey	HLKXYZVTANABHZ-REOHCLBHSA-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	93072
ChEBI ID	15859
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Carbamoylaspartate

Rxn ID	KEGG Reaction	Enzyme
R00484	N-Carbamoyl-L-aspartate + H2O <=> L-Aspartate + CO2 + Ammonia	N-Carbamoyl-L-aspartate amidohydrolase
R01397	Carbamoyl phosphate + L-Aspartate <=> Orthophosphate + N-Carbamoyl-L-aspartate	carbamoyl-phosphate:L-aspartate carbamoyltransferase
R01993	(S)-Dihydroorotate + H2O <=> N-Carbamoyl-L-aspartate	(S)-dihydroorotate amidohydrolase

Table of KEGG human pathways containing Carbamoylaspartate

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	2
hsa00250	Alanine, aspartate and glutamate metabolism	1
hsa01100	Metabolic pathways	1