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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (3) Show 3 proteins XML

Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2005-11-16 15:48:42 UTC

Update Date

2021-09-14 15:46:13 UTC

HMDB ID

HMDB0000828

Secondary Accession Numbers

HMDB00828

Metabolite Identification

Common Name

Ureidosuccinic acid

Description

Ureidosuccinic acid, also known as L-ureidosuccinate or carbamyl-L-aspartate, belongs to the class of organic compounds known as aspartic acids and derivatives. Aspartic acids and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Ureidosuccinic acid is also classified as a carbamate derivative. It is a solid that is soluble in water. Ureidosuccinic acid exists in all living species, ranging from bacteria to plants to humans. Ureidosuccinic acid can be biosynthesized from carbamoyl phosphate and L-aspartic acid through the action of the enzyme known as aspartate carbamoyltransferase (ACTase) and serves as an intermediate in pyrimidine biosynthesis. In humans, a drop in the level of urinary ureidosuccinic acid is associated with bladder cancer (PMID: 25562196 ). It is also involved in the metabolic disorder called Canavan disease.

Structure

MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HEADER    PROTEIN                                 04-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-20         0                                  
HETATM    1  N   UNK     0       3.286   3.437   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    3  O   UNK     0       4.620   1.127   0.000  0.00  0.00           O+0
HETATM    4  N   UNK     0       5.954   3.437   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       7.287   2.667   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.955   2.667   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      11.288   3.437   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       9.955   1.127   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       7.287   1.127   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       8.621   0.357   0.000  0.00  0.00           O+0
HETATM   12  O   UNK     0       5.954   0.357   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    5   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END

COMPND    https://cactus.nci.nih.gov/chemical/structure/NC(=O)N%5BC@@H%5D(CC(O)=O)C(O)=... 
AUTHOR    GENERATED BY OPEN BABEL 3.1.0
HETATM    1  N   UNK A   0      -1.970   2.492   0.604  1.00  0.00           N  
HETATM    2  C   UNK A   0      -1.486   1.418  -0.051  1.00  0.00           C  
HETATM    3  O   UNK A   0      -1.905   1.142  -1.159  1.00  0.00           O  
ATOM      4  N   ASP A   1      -0.537   0.651   0.521  1.00  0.00           N  
ATOM      5  CA  ASP A   1      -0.010  -0.516  -0.191  1.00  0.00           C  
ATOM      6  HA  ASP A   1       0.029  -0.302  -1.259  1.00  0.00           H  
ATOM      7  CB  ASP A   1       1.397  -0.832   0.318  1.00  0.00           C  
ATOM      8  CG  ASP A   1       2.325   0.303  -0.034  1.00  0.00           C  
ATOM      9  OD1 ASP A   1       3.620   0.244   0.315  1.00  0.00           O  
ATOM     10  OD2 ASP A   1       1.904   1.265  -0.631  1.00  0.00           O  
ATOM     11  C   ASP A   1      -0.910  -1.700   0.051  1.00  0.00           C  
ATOM     12  O   ASP A   1      -0.622  -2.887  -0.506  1.00  0.00           O  
ATOM     13  OXT ASP A   1      -1.890  -1.582   0.748  1.00  0.00           O  
HETATM   14  H   UNK A   0      -2.653   3.044   0.192  1.00  0.00           H  
HETATM   15  H   UNK A   0      -1.639   2.710   1.489  1.00  0.00           H  
ATOM     16  H   ASP A   1      -0.203   0.872   1.405  1.00  0.00           H  
ATOM     17  HB1 ASP A   1       1.372  -0.958   1.400  1.00  0.00           H  
ATOM     18  HB2 ASP A   1       1.754  -1.751  -0.147  1.00  0.00           H  
ATOM     19  HD1 ASP A   1       4.176   0.995   0.068  1.00  0.00           H  
ATOM     20  H   ASP A   1      -1.228  -3.617  -0.322  1.00  0.00           H  
CONECT    1    2   14   15                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   16                                            
CONECT    5    4    6    7   11                                       
CONECT    6    5                                                      
CONECT    7    5    8   17   18                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   19                                                 
CONECT   10    8    8                                                 
CONECT   11    5   12   13   13                                       
CONECT   12   11   20                                                 
CONECT   13   11   11                                                 
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    4                                                      
CONECT   17    7                                                      
CONECT   18    7                                                      
CONECT   19    9                                                      
CONECT   20   12                                                      
MASTER        0    0    0    0    0    0    0    0   20    0   20    0
END

View in JSmol View Stereo Labels

Synonyms

Value	Source
Carbamyl-L-aspartic acid	ChEBI
L-Ureidosuccinic acid	ChEBI
N-(Aminocarbonyl)-L-aspartic acid	ChEBI
N-Carbamoyl-L-aspartate	ChEBI
N-Carbamoyl-S-aspartic acid	ChEBI
Carbamyl-L-aspartate	Generator
L-Ureidosuccinate	Generator
N-(Aminocarbonyl)-L-aspartate	Generator
N-Carbamoyl-L-aspartic acid	Generator
N-Carbamoyl-S-aspartate	Generator
Ureidosuccinate	Generator
2-Ureidobutanedioate	HMDB
2-Ureidobutanedioic acid	HMDB
Carbamoylaspartic acid	HMDB
Carbamylaspartic acid	HMDB
L-N-Carbamoylaspartic acid	HMDB
N-Carbamoylaspartate	HMDB
N-Carbamoylaspartic acid	HMDB
NCD	HMDB
Carbamyl-DL-aspartate	HMDB
Ureidosuccinic acid, (D)-isomer	HMDB
Ureidosuccinic acid, maganeese (+2), (1:1) salt	HMDB
Ureidosuccinic acid, zinc (1:1) salt, (L)-isomer	HMDB
N-Carbamoyl-D-aspartic acid	HMDB
Ureidosuccinic acid, (L)-isomer	HMDB
Ureidosuccinic acid, cobalt (+2), (1:1) salt,(L)-isomer	HMDB

Chemical Formula

C₅H₈N₂O₅

Average Molecular Weight

176.1274

Monoisotopic Molecular Weight

176.043321376

IUPAC Name

(2S)-2-(carbamoylamino)butanedioic acid

Traditional Name

carbamylaspartic acid

CAS Registry Number

13184-27-5

SMILES

NC(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Identifier

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

InChI Key

HLKXYZVTANABHZ-REOHCLBHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as aspartic acid and derivatives. Aspartic acid and derivatives are compounds containing an aspartic acid or a derivative thereof resulting from reaction of aspartic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Aspartic acid and derivatives

Alternative Parents

Substituents

Aspartic acid or derivatives
Dicarboxylic acid or derivatives
Fatty acid
Isourea
Carboximidamide
Carboxylic acid
Carboximidic acid derivative
Organic oxide
Organic nitrogen compound
Hydrocarbon derivative
Carbonyl group
Organooxygen compound
Organonitrogen compound
Imine
Organopnictogen compound
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

L-aspartic acid derivative (CHEBI:15859 )
N-carbamoyl-L-amino acid (CHEBI:15859 )
N-carbamoylaspartic acid (CHEBI:15859 )

Ontology

Disposition

Route of exposure:

Enteral:

Ingestion

Source:

Biological:

Plant:

Animal

Biological location:

Organ and components:

Prostate

Subcellular:

Cytoplasm

Biofluid and excreta:

Saliva

Process

Naturally occurring process:

Biological process:

Biochemical pathway:

Role

Industrial application:

Pharmaceutical industry:

Pharmaceutical

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	174 - 175 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	3.7 mg/mL	Not Available
LogP	Not Available	Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	21.3 g/L	ALOGPS
logP	-1.1	ALOGPS
logP	-1.7	ChemAxon
logS	-0.92	ALOGPS
pKa (Strongest Acidic)	3.33	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	129.72 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	34.65 m³·mol⁻¹	ChemAxon
Polarizability	14.72 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Spectral Properties

Collision Cross Sections

Name	Adduct	Type	Data Source	Value	Reference
DarkChem	[M+H]+	Predicted	Not Available	141.603	31661259
DarkChem	[M-H]-	Predicted	Not Available	132.977	31661259
AllCCS	[M+H]+	Predicted	Not Available	139.67	32859911
AllCCS	[M-H]-	Predicted	Not Available	131.162	32859911

Retention Indices

Underivatized

Not Available

Derivatized

Derivative	Value	Reference
Ureidosuccinic acid,1TMS,#1	1771.3285	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,1TMS,#2	1718.1898	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,1TMS,#3	1830.1619	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,1TMS,#4	1807.8025	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TMS,#1	1848.8767	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TMS,#2	1902.515	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TMS,#3	1796.2615	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TMS,#4	1875.0737	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TMS,#5	1776.6598	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TMS,#6	1941.3434	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TMS,#7	1878.6616	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,1TBDMS,#1	2060.6838	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,1TBDMS,#2	2005.787	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,1TBDMS,#3	2094.8777	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,1TBDMS,#4	2075.7534	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TBDMS,#1	2317.993	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TBDMS,#2	2411.0012	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TBDMS,#3	2319.686	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TBDMS,#4	2344.5938	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TBDMS,#5	2266.6714	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TBDMS,#6	2363.784	https://arxiv.org/abs/1905.12712
Ureidosuccinic acid,2TBDMS,#7	2322.2007	https://arxiv.org/abs/1905.12712

Spectra

GC-MS

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - GC-MS (4 TMS)	splash10-0f89-3940000000-f6b458a8d8c1bb66550a	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (3 TMS)	splash10-03di-1910000000-8a8dd39c35aa7c99f81a	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-03di-0920000000-cdbae9a5c80fb0023f8e	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0f89-3940000000-f6b458a8d8c1bb66550a	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-03di-1910000000-8a8dd39c35aa7c99f81a	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0016-9600000000-c3f9041273a7b07c96ad	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (2 TMS) - 70eV, Positive	splash10-00di-9661000000-59d277eae56bc52aa7fa	2017-10-06	View Spectrum

LC-MS/MS

Spectrum Type	Description	Splash Key	Deposition Date	View
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)	splash10-001i-2900000000-8579bc85efea27463b1a	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)	splash10-00di-9000000000-bfd715a5dec069d32aea	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)	splash10-00di-9000000000-17769f0943f627a57c64	2012-07-24	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative	splash10-0059-0900000000-d1e136c596eda61fdad6	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative	splash10-001i-1900000000-d9c4b6edb79ec7db500c	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative	splash10-000i-9500000000-8a0f02bbd32fdd0af067	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative	splash10-000i-9100000000-c1e7be64cc9ef25c1291	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative	splash10-0006-9000000000-d90115a5ff29ff776135	2012-08-31	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0059-0900000000-d1e136c596eda61fdad6	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-001i-1900000000-d9c4b6edb79ec7db500c	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-000i-9500000000-ec02387ba0107a9f05cb	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-000i-9100000000-c1e7be64cc9ef25c1291	2017-09-14	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QQ , negative	splash10-0006-9000000000-d90115a5ff29ff776135	2017-09-14	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-057i-1900000000-e642a1d611b0cd263a5b	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0310-8900000000-0ed6a7e85a30fafb07b2	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000l-9100000000-48fee59912455e39938a	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001l-6900000000-9bae4efc52500be1a047	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001c-9400000000-0fc35cb79f71cc7fbdf1	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-27e270ecc918b43d4a41	2016-09-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0apl-0900000000-f213a5f30cd08c31789e	2021-09-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-4900000000-adfaa17628b2ca72c2e1	2021-09-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-007c-9000000000-48cdb9a37ffb273d4ef7	2021-09-08	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-02a9-7900000000-58b14b371a249024f2f7	2021-09-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-000i-9300000000-1c5b264ddc49bbfb87f1	2021-09-09	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-f22daea18312398be862	2021-09-09	View Spectrum

NMR

Spectrum Type	Description	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2012-12-04	View Spectrum
2D NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, H₂O, predicted)	2012-12-05	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Feces
Prostate Tissue
Saliva

Tissue Locations

Prostate

Pathways

Name	SMPDB/Pathwhiz	KEGG
Pyrimidine Metabolism
Aspartate Metabolism
Canavan Disease		Not Available
Hypoacetylaspartia		Not Available
Beta Ureidopropionase Deficiency		Not Available

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	27543620	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	29808030	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Male	Normal	22308371	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Prostate Tissue	Detected and Quantified	0.5 (0.0-1.0) umol/g tissue	Adult (>18 years old)	Both	Prostate Cancer	19212411	details

Associated Disorders and Diseases

Disease References

Prostate cancer

Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]

Associated OMIM IDs

176807 (Prostate cancer)

External Links

DrugBank ID

DB04252

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

CARBAMYUL-L-ASPARTATE

BiGG ID

34984

Wikipedia Link

Carbamoyl_aspartic_acid

METLIN ID

5791

PubChem Compound

93072

PDB ID

Not Available

ChEBI ID

15859

Food Biomarker Ontology

Not Available

VMH ID

CBASP

MarkerDB ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Ohdoi C, Nyhan WL, Kuhara T: Chemical diagnosis of Lesch-Nyhan syndrome using gas chromatography-mass spectrometry detection. J Chromatogr B Analyt Technol Biomed Life Sci. 2003 Jul 15;792(1):123-30. [PubMed:12829005 ]
van Kuilenburg AB, van Lenthe H, Loffler M, van Gennip AH: Analysis of pyrimidine synthesis "de novo" intermediates in urine and dried urine filter- paper strips with HPLC-electrospray tandem mass spectrometry. Clin Chem. 2004 Nov;50(11):2117-24. Epub 2004 Sep 16. [PubMed:15375016 ]
Sreekumar A, Poisson LM, Rajendiran TM, Khan AP, Cao Q, Yu J, Laxman B, Mehra R, Lonigro RJ, Li Y, Nyati MK, Ahsan A, Kalyana-Sundaram S, Han B, Cao X, Byun J, Omenn GS, Ghosh D, Pennathur S, Alexander DC, Berger A, Shuster JR, Wei JT, Varambally S, Beecher C, Chinnaiyan AM: Metabolomic profiles delineate potential role for sarcosine in prostate cancer progression. Nature. 2009 Feb 12;457(7231):910-4. doi: 10.1038/nature07762. [PubMed:19212411 ]
Shen C, Sun Z, Chen D, Su X, Jiang J, Li G, Lin B, Yan J: Developing urinary metabolomic signatures as early bladder cancer diagnostic markers. OMICS. 2015 Jan;19(1):1-11. doi: 10.1089/omi.2014.0116. [PubMed:25562196 ]

Enzymes

Enzyme Details

1. Aspartate--tRNA ligase, cytoplasmic

General function:: Involved in nucleotide binding
Specific function:: Catalyzes the specific attachment of an amino acid to its cognate tRNA in a 2 step reaction: the amino acid (AA) is first activated by ATP to form AA-AMP and then transferred to the acceptor end of the tRNA.
Gene Name:: DARS
Uniprot ID:: P14868
Molecular weight:: 57135.8

Enzyme Details

2. Glutamate decarboxylase 1

General function:: Involved in carboxy-lyase activity
Specific function:: Catalyzes the production of GABA.
Gene Name:: GAD1
Uniprot ID:: Q99259
Molecular weight:: 66896.065

Enzyme Details

3. CAD protein

General function:: Involved in hydrolase activity
Specific function:: This protein is a "fusion" protein encoding four enzymatic activities of the pyrimidine pathway (GATase, CPSase, ATCase and DHOase).
Gene Name:: CAD
Uniprot ID:: P27708
Molecular weight:: 242981.73

Reactions

Carbamoyl phosphate + L-Aspartic acid → Phosphate + Ureidosuccinic acid	details
L-Dihydroorotic acid + Water → Ureidosuccinic acid	details

Showing metabocard for Ureidosuccinic acid (HMDB0000828)

MOL for HMDB0000828 (Ureidosuccinic acid)

3D MOL for HMDB0000828 (Ureidosuccinic acid)

3D SDF for HMDB0000828 (Ureidosuccinic acid)

3D-SDF for HMDB0000828 (Ureidosuccinic acid)

PDB for HMDB0000828 (Ureidosuccinic acid)

3D PDB for HMDB0000828 (Ureidosuccinic acid)

SMILES for HMDB0000828 (Ureidosuccinic acid)

INCHI for HMDB0000828 (Ureidosuccinic acid)

Structure for HMDB0000828 (Ureidosuccinic acid)

3D Structure for HMDB0000828 (Ureidosuccinic acid)

Collision Cross Sections

Retention Indices

Underivatized

Derivatized

GC-MS

LC-MS/MS

NMR

Enzymes

Reactions