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2D Structure
Also known as: 1866-68-8, Carbamoylphosphate dilithium salt, Carbamyl phosphate dilithium salt, Dilithium;carbamoyl phosphate, Carbamylphosphatedilithiumsalt, P90e6zc3fb
Molecular Formula
CH2Li2NO5P
Molecular Weight
152.9  g/mol
InChI Key
TUHZSMCNIUXAIJ-UHFFFAOYSA-L
FDA UNII
P90E6ZC3FB

The monoanhydride of carbamic acid with PHOSPHORIC ACID. It is an important intermediate metabolite and is synthesized enzymatically by CARBAMYL-PHOSPHATE SYNTHASE (AMMONIA) and CARBAMOYL-PHOSPHATE SYNTHASE (GLUTAMINE-HYDROLYZING).
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
dilithium;carbamoyl phosphate
2.1.2 InChI
InChI=1S/CH4NO5P.2Li/c2-1(3)7-8(4,5)6;;/h(H2,2,3)(H2,4,5,6);;/q;2*+1/p-2
2.1.3 InChI Key
TUHZSMCNIUXAIJ-UHFFFAOYSA-L
2.1.4 Canonical SMILES
[Li+].[Li+].C(=O)(N)OP(=O)([O-])[O-]
2.2 Other Identifiers
2.2.1 UNII
P90E6ZC3FB
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Carbamoyl Phosphate

2. Carbamyl Phosphate

3. Carbamyl Phosphate, Dilithium

4. Dilithium Carbamyl Phosphate

5. Phosphate, Carbamoyl

6. Phosphate, Carbamyl

7. Phosphate, Dilithium Carbamyl

2.3.2 Depositor-Supplied Synonyms

1. 1866-68-8

2. Carbamoylphosphate Dilithium Salt

3. Carbamyl Phosphate Dilithium Salt

4. Dilithium;carbamoyl Phosphate

5. Carbamylphosphatedilithiumsalt

6. P90e6zc3fb

7. Einecs 217-480-4

8. Unii-p90e6zc3fb

9. Dilithium Carbamyl Phosphate

10. Schembl412389

11. Dtxsid20171923

12. Lithium Carbamoylphosphate Dibasic

13. Ft-0767267

14. Carbamic Acid, Anhydride With Li2hpo4

15. Lithium Carbamoylphosphate Dibasic Hydrate, >=85%

16. E700fe05-102e-4ccd-b668-d7abf4056d7a

17. Carbamic Acid, Monoanhydride With Phosphoric Acid, Dilithium Salt

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 152.9 g/mol
Molecular Formula CH2Li2NO5P
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass152.99906603 g/mol
Monoisotopic Mass152.99906603 g/mol
Topological Polar Surface Area116 Ų
Heavy Atom Count10
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3