RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136057
RefMet name	Carbamoylphosphate
Systematic name	(carbamoyloxy)phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	140.982709 (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	CH4NO5P	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37599 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
InChIKey	FFQKYPRQEYGKAF-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(=O)(N)OP(=O)(O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Organic acids
Main Class	Organic phosphoric acids
Sub Class	Organic phosphoric acids
Distribution of Carbamoylphosphate in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Studies	NMDR Studies reporting Carbamoylphosphate
External Links
Pubchem CID	278
ChEBI ID	17672
KEGG ID	C00169
HMDB ID	HMDB0001096
Chemspider ID	272
MetaCyc ID	CARBAMOYL-P
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Carbamoylphosphate

Rxn ID	KEGG Reaction	Enzyme
R00149	2 ATP + Ammonia + CO2 + H2O <=> 2 ADP + Orthophosphate + Carbamoyl phosphate	Carbon-dioxide:ammonia ligase (ADP-forming,carbamate-phosphorylating)
R00150	ATP + Ammonia + HCO3- <=> ADP + Carbamoyl phosphate + H2O	ATP:carbamate phosphotransferase
R00484	N-Carbamoyl-L-aspartate + H2O <=> L-Aspartate + CO2 + Ammonia	N-Carbamoyl-L-aspartate amidohydrolase
R00575	2 ATP + L-Glutamine + HCO3- + H2O <=> 2 ADP + Orthophosphate + L-Glutamate + Carbamoyl phosphate	HCO3-:L-glutamine amido-ligase (ADP-forming, carbamate-phosphorylating)
R01397	Carbamoyl phosphate + L-Aspartate <=> Orthophosphate + N-Carbamoyl-L-aspartate	carbamoyl-phosphate:L-aspartate carbamoyltransferase

Table of KEGG human pathways containing Carbamoylphosphate

Pathway ID	Human Pathway	# of reactions
hsa00250	Alanine, aspartate and glutamate metabolism	3
hsa00240	Pyrimidine metabolism	2
hsa01230	Biosynthesis of amino acids	2
hsa00220	Arginine biosynthesis	2
hsa01100	Metabolic pathways	2
hsa00910	Nitrogen metabolism	1
hsa01200	Carbon metabolism	1