Carbamoyl Phosphate

HCID 278CAS 590-55-6
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Basic information

Standard SMILES
NC(=O)OP(=O)(O)O
InChIKey
FFQKYPRQEYGKAF-UHFFFAOYSA-N
Molecular formula
CH4NO5P
Average molar mass
141.02 g/mol
Monoisotopic mass
140.98270886

Overview

Carbamoyl phosphate is an acyl monophosphate and a one-carbon compound. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a conjugate acid of a carbamoyl phosphate(2-).

Names & identifiers

Preferred name
Carbamoyl Phosphate
IUPAC
phosphono carbamate
English name
Carbamoylphosphate
Molecular formula
CH4NO5P
Molecular weight
141.02

Names & synonyms

Carbamoyl phosphatephosphono carbamateCARBAMYL PHOSPHATE590-55-6GC5KZW01Q3CHEBI:17672DTXSID70862253Carbamic acid, monoanhydride with phosphoric acidPhosphate, CarbamylPhosphate, CarbamoylRefChem:574146Carbamyl Phosphate, Dilithium
Show more names
Carbamylphosphoric acidCarbamic phosphoric anhydridePhosphoric carbamic anhydridePhosphoric acid carbamoyl esterCarbamic acid, anhydride with phosphoric acid (1:1)
Phosphate, Dilithium CarbamylDTXCID20201375carbamoylphosphate(carbamoyloxy)phosphonic acidcarbamoyl-Paminocarbonyl dihydrogen phosphatemonocarbamoyl phosphatecarbamyl-phosphate

Database identifiers

CAS
590-55-6
PubChem CID
278
DTXSID
DTXSID70862253
ChEMBL
CHEMBL369105
ChEBI
CHEBI:17672
UNII
GC5KZW01Q3
EC Number
804-242-5
Nikkaji
J39.574I

Properties

Computed structural properties

XLogP
-2.1
Topological polar surface area
110 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
8

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Boiling point
403.3 · 403.3±28.0 °C(Predicted)
Density
1.976 · 1.976±0.06 g/cm3(Predicted)
pka
1.47 · 1.47±0.10(Predicted)
Solvent
Solid
Specific Activity
5 · 5-25 mCi/mmol
FDA UNII
5 KZW01Q3 · GC5KZW01Q3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS06
Hazard statements
H335-H315-H301-H319
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P310-P321-P330-P405-P501

Chemistry & industry

Pharmacology

Tissue LocationsSpleen
Cellular LocationsEndoplasmic reticulum
Metabolite Pathways2-Hydroxyglutric Aciduria (D And L Form)

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

Additional notes

DefinitionChEBI: Carbamoyl phosphate is a one-carbon compound and an acyl monophosphate. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a carbamoyl phosphate(2-).

Related reactions

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