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Showing metabocard for Urea (HMDB0000294)

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enzymes (10)transporters (2) Show 12 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-02-21 17:14:41 UTC
HMDB IDHMDB0000294
Secondary Accession Numbers
  • HMDB00294
Metabolite Identification
Common NameUrea
DescriptionUrea is a highly soluble organic compound formed in the liver from ammonia produced by the deamination of amino acids. It is the principal end product of protein catabolism and constitutes about one half of the total urinary solids. Urea is formed in a cyclic pathway known simply as the urea cycle. In this cycle, amino groups donated by ammonia and L-aspartate are converted to urea. Urea is essentially a waste product; it has no physiological function. It is dissolved in blood (in humans in a concentration of 2.5 - 7.5 mmol/liter) and excreted by the kidney in the urine. In addition, a small amount of urea is excreted (along with sodium chloride and water) in human sweat. Urea is found to be associated with primary hypomagnesemia, which is an inborn error of metabolism.
Structure
Data?1676999681
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000294 (Urea)


  Mrv1652309042000002D          

  4  3  0  0  0  0            999 V2000
    1.3334   -0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957   -0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
M  END
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3D MOL for HMDB0000294 (Urea)

HMDB0000294
     RDKit          3D
Urea
  8  7  0  0  0  0  0  0  0  0999 V2000
   -1.1986   -0.0447    0.3821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0214    0.3874   -0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215   -0.2582   -0.1226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1003    1.3713   -1.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9476    0.6151    0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071   -1.0554    0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4449   -1.0724   -0.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9086    0.0570    0.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  1  5  1  0
  1  6  1  0
  3  7  1  0
  3  8  1  0
M  END
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3D SDF for HMDB0000294 (Urea)


  Mrv1652309042000002D          

  4  3  0  0  0  0            999 V2000
    1.3334   -0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0957   -0.6187    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000294

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(N)=O

> <INCHI_IDENTIFIER>
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)

> <INCHI_KEY>
XSQUKJJJFZCRTK-UHFFFAOYSA-N

> <FORMULA>
CH4N2O

> <MOLECULAR_WEIGHT>
60.0553

> <EXACT_MASS>
60.03236276

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
8

> <JCHEM_AVERAGE_POLARIZABILITY>
5.102881409078858

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
urea

> <ALOGPS_LOGP>
-1.78

> <JCHEM_LOGP>
-1.3638338616666665

> <ALOGPS_LOGS>
0.84

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.731965106806726

> <JCHEM_PKA_STRONGEST_BASIC>
-2.3686972237578967

> <JCHEM_POLAR_SURFACE_AREA>
69.11

> <JCHEM_REFRACTIVITY>
13.1426

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.12e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
urea

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0000294 (Urea)

HMDB0000294
     RDKit          3D
Urea
  8  7  0  0  0  0  0  0  0  0999 V2000
   -1.1986   -0.0447    0.3821 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0214    0.3874   -0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215   -0.2582   -0.1226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1003    1.3713   -1.0899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9476    0.6151    0.6532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3071   -1.0554    0.6168 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4449   -1.0724   -0.7164 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9086    0.0570    0.5805 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  1  5  1  0
  1  6  1  0
  3  7  1  0
  3  8  1  0
M  END
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PDB for HMDB0000294 (Urea)

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       2.489  -1.155   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       1.155  -0.385   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -0.179  -1.155   0.000  0.00  0.00           N+0
HETATM    4  O   UNK     0       1.155   1.155   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2                                                            
MASTER        0    0    0    0    0    0    0    0    4    0    6    0
END
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3D PDB for HMDB0000294 (Urea)

COMPND    HMDB0000294
HETATM    1  N1  UNL     1      -1.199  -0.045   0.382  1.00  0.00           N  
HETATM    2  C1  UNL     1      -0.021   0.387  -0.304  1.00  0.00           C  
HETATM    3  N2  UNL     1       1.222  -0.258  -0.123  1.00  0.00           N  
HETATM    4  O1  UNL     1      -0.100   1.371  -1.090  1.00  0.00           O  
HETATM    5  H1  UNL     1      -1.948   0.615   0.653  1.00  0.00           H  
HETATM    6  H2  UNL     1      -1.307  -1.055   0.617  1.00  0.00           H  
HETATM    7  H3  UNL     1       1.445  -1.072  -0.716  1.00  0.00           H  
HETATM    8  H4  UNL     1       1.909   0.057   0.580  1.00  0.00           H  
CONECT    1    2    5    6
CONECT    2    3    4    4
CONECT    3    7    8
END
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SMILES for HMDB0000294 (Urea)

NC(N)=O
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INCHI for HMDB0000294 (Urea)

InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
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View in JSmolView Stereo Labels
Synonyms
ValueSource
1728ChEBI
CarbamideChEBI
CarbonyldiamideChEBI
e927bChEBI
H2NC(O)NH2ChEBI
HarnstoffChEBI
KarbamidChEBI
urChEBI
UreeChEBI
PastaronKegg
AlphadrateHMDB
ARFHMDB
b-I-KHMDB
beta-I-KHMDB
BromisovalumHMDB
Bubber shetHMDB
CalmuridHMDB
Calmurid HCHMDB
CarbadermHMDB
Carbamide resinHMDB
Carbonyl diamideHMDB
Carbonyl diamineHMDB
CarbonyldiamineHMDB
CarmolHMDB
HelicosolHMDB
HyanitHMDB
IsoureaHMDB
KeratinaminHMDB
Keratinamin kowaHMDB
MocovinaHMDB
OnychomalHMDB
PanafilHMDB
UREHMDB
UreaphilHMDB
UreophilHMDB
BasodexanHMDB
Chemical FormulaCH4N2O
Average Molecular Weight60.0553
Monoisotopic Molecular Weight60.03236276
IUPAC Nameurea
Traditional Nameurea
CAS Registry Number57-13-6
SMILES
NC(N)=O
InChI Identifier
InChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
InChI KeyXSQUKJJJFZCRTK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as ureas. Ureas are compounds containing two amine groups joined by a carbonyl (C=O) functional group.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic carbonic acids and derivatives
Sub ClassUreas
Direct ParentUreas
Alternative Parents
Substituents
  • Urea
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Health effect
Disposition
Biological locationRoute of exposureSource
Process
Naturally occurring process
Role
Industrial applicationBiological role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point132 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility545 mg/mLNot Available
LogP-2.11HANSCH,C ET AL. (1995)
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility412 g/LALOGPS
logP-1.8ALOGPS
logP-1.4ChemAxon
logS0.84ALOGPS
pKa (Strongest Acidic)15.73ChemAxon
pKa (Strongest Basic)-2.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area69.11 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.14 m³·mol⁻¹ChemAxon
Polarizability5.1 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+108.1331661259
DarkChem[M-H]-99.90431661259
AllCCS[M+H]+108.68732859911
AllCCS[M-H]-137.69432859911
DeepCCS[M+H]+117.3130932474
DeepCCS[M-H]-115.50530932474
DeepCCS[M-2H]-150.78430932474
DeepCCS[M+Na]+124.37530932474
AllCCS[M+H]+108.732859911
AllCCS[M+H-H2O]+104.232859911
AllCCS[M+NH4]+112.932859911
AllCCS[M+Na]+114.132859911
AllCCS[M-H]-137.732859911
AllCCS[M+Na-2H]-144.632859911
AllCCS[M+HCOO]-152.232859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
UreaNC(N)=O2157.4Standard polar33892256
UreaNC(N)=O716.4Standard non polar33892256
UreaNC(N)=O1117.3Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Urea,1TMS,isomer #1C[Si](C)(C)NC(N)=O1131.7Semi standard non polar33892256
Urea,1TMS,isomer #1C[Si](C)(C)NC(N)=O1070.7Standard non polar33892256
Urea,1TMS,isomer #1C[Si](C)(C)NC(N)=O1691.9Standard polar33892256
Urea,2TMS,isomer #1C[Si](C)(C)NC(=O)N[Si](C)(C)C1260.1Semi standard non polar33892256
Urea,2TMS,isomer #1C[Si](C)(C)NC(=O)N[Si](C)(C)C1208.1Standard non polar33892256
Urea,2TMS,isomer #1C[Si](C)(C)NC(=O)N[Si](C)(C)C1570.6Standard polar33892256
Urea,2TMS,isomer #2C[Si](C)(C)N(C(N)=O)[Si](C)(C)C1244.0Semi standard non polar33892256
Urea,2TMS,isomer #2C[Si](C)(C)N(C(N)=O)[Si](C)(C)C1143.8Standard non polar33892256
Urea,2TMS,isomer #2C[Si](C)(C)N(C(N)=O)[Si](C)(C)C1600.4Standard polar33892256
Urea,3TMS,isomer #1C[Si](C)(C)NC(=O)N([Si](C)(C)C)[Si](C)(C)C1267.1Semi standard non polar33892256
Urea,3TMS,isomer #1C[Si](C)(C)NC(=O)N([Si](C)(C)C)[Si](C)(C)C1238.6Standard non polar33892256
Urea,3TMS,isomer #1C[Si](C)(C)NC(=O)N([Si](C)(C)C)[Si](C)(C)C1359.8Standard polar33892256
Urea,4TMS,isomer #1C[Si](C)(C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1415.9Semi standard non polar33892256
Urea,4TMS,isomer #1C[Si](C)(C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1364.1Standard non polar33892256
Urea,4TMS,isomer #1C[Si](C)(C)N(C(=O)N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C1268.3Standard polar33892256
Urea,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(N)=O1308.8Semi standard non polar33892256
Urea,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(N)=O1269.9Standard non polar33892256
Urea,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(N)=O1869.0Standard polar33892256
Urea,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)N[Si](C)(C)C(C)(C)C1697.8Semi standard non polar33892256
Urea,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)N[Si](C)(C)C(C)(C)C1521.1Standard non polar33892256
Urea,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)N[Si](C)(C)C(C)(C)C1674.6Standard polar33892256
Urea,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(N)=O)[Si](C)(C)C(C)(C)C1609.8Semi standard non polar33892256
Urea,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(N)=O)[Si](C)(C)C(C)(C)C1516.9Standard non polar33892256
Urea,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(C(N)=O)[Si](C)(C)C(C)(C)C1754.2Standard polar33892256
Urea,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1900.6Semi standard non polar33892256
Urea,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1843.4Standard non polar33892256
Urea,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1717.9Standard polar33892256
Urea,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2204.5Semi standard non polar33892256
Urea,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2179.8Standard non polar33892256
Urea,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1770.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Urea GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-0002-0900000000-234545ed5860ba0772372014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Urea GC-MS (2 TMS)splash10-0079-3900000000-0ef80e5f5cd9dd6bd2132014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Urea EI-B (Non-derivatized)splash10-02tc-9000000000-d69da17ffbb84fb6bdca2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Urea GC-EI-TOF (Non-derivatized)splash10-0002-0900000000-234545ed5860ba0772372017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Urea GC-MS (Non-derivatized)splash10-0079-3900000000-0ef80e5f5cd9dd6bd2132017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Urea GC-EI-TOF (Non-derivatized)splash10-0002-1900000000-d805e3019d86aaf9fec02017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urea GC-MS (Non-derivatized) - 70eV, Positivesplash10-03di-9000000000-400d59bf59b857bd7c062016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urea GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Urea GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-02tc-9000000000-871569893ccfa5dd53952014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Urea Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-03di-9000000000-8f09c5d6f5e002dfa52e2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Urea Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-03dl-9000000000-3d983e9f9115869f55c82012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Urea Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-001i-9000000000-9404d66c59d266164c232012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Urea LC-ESI-IT , positive-QTOFsplash10-03di-9000000000-828ab6c68e3a46ccbd882017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Urea 10V, Positive-QTOFsplash10-01ot-9000000000-91554974873c3217dc932021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Urea 0V, Positive-QTOFsplash10-03di-9000000000-9d3431eab9093f365e2b2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urea 10V, Positive-QTOFsplash10-03di-9000000000-4bdf0d3bd74007ba840a2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urea 20V, Positive-QTOFsplash10-03di-9000000000-7184b34bac3a316d9fea2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urea 40V, Positive-QTOFsplash10-0006-9000000000-37fd015e8c20febde95a2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urea 10V, Negative-QTOFsplash10-0a4i-9000000000-2fc4ec950c571662bb312015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urea 20V, Negative-QTOFsplash10-0a4l-9000000000-3443c9c73d9a3f03e3982015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urea 40V, Negative-QTOFsplash10-0006-9000000000-11d83d6bda76c25ec73f2015-05-27Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urea 10V, Negative-QTOFsplash10-052f-9000000000-39cd266ec67397ab213f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urea 20V, Negative-QTOFsplash10-0006-9000000000-90726b17dc36e29c52992021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urea 40V, Negative-QTOFsplash10-0006-9000000000-90726b17dc36e29c52992021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urea 10V, Positive-QTOFsplash10-01ox-9000000000-95a1106bd10162ddd3262021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urea 20V, Positive-QTOFsplash10-0006-9000000000-b759ce75f0e73d2777db2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Urea 40V, Positive-QTOFsplash10-0006-9000000000-fd9f25340762315b45152021-09-24Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR13C NMR Spectrum (1D, 400 MHz, H2O, experimental)2021-10-10Wishart LabView Spectrum
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2021-10-10Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-03FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-03FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Extracellular
  • Mitochondria
Biospecimen Locations
  • Blood
  • Breast Milk
  • Cellular Cytoplasm
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Sweat
  • Urine
Tissue Locations
  • Epidermis
  • Kidney
  • Liver
  • Placenta
  • Prostate
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified6074.6 +/- 2154.2 uMAdult (>18 years old)BothNormal details
BloodDetected but not QuantifiedNot QuantifiedChildren (1-13 years old)Male
Normal		 details
BloodDetected and Quantified4530.0 (2590.0 - 6470.0) uMAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified4010.0 +/- 920.0 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified3600.0 (2680.0 - 4780.0) uMNewborn (0-30 days old)BothNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified5210.0 (4310.0 - 6780.0) uMChildren (1-13 years old)Not Specified
Normal
    • Geigy Scientific ...
 details
BloodDetected and Quantified6500.0 (4000.0-9000.0) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified1665.132-3330.264 uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified466.24-3829.80 uMNewborn (0 - <14 days old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified566.15-2797.42 uMInfant (15 days - <1 year old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified1498.62-3679.94 uMChildren (1 - <10 years old)Both
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified1215.55-3163.75 uMAdolescent (10 - <19 years old)Female
Normal
    • CALIPER Paediatri...
 details
BloodDetected and Quantified1215.55-3496.78 uMAdolescent (10 - <19 years old)Male
Normal
    • CALIPER Paediatri...
 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified<6666.667 uMAdult (>18 years old)Both
Normal		 details
BloodDetected and Quantified1400-6800 uMNot SpecifiedNot SpecifiedNormal details
BloodDetected and Quantified2500-7500 uMAdult (>18 years old)Not SpecifiedNormal details
Breast MilkDetected and Quantified4500 +/- 830 uMAdult (>18 years old)Female
Normal		 details
Cellular CytoplasmDetected and Quantified2960 +/- 1000 uMAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified3820.0 (0.0-7640.0) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified4160.0 (2300.0-6060.0) uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedInfant (0-1 year old)Both
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified476 +/- 198 uMAdult (>18 years old)Not Specified
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified495 +/- 173 uMAdult (>18 years old)Not Specified
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified617.11 +/- 504.11 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
 details
SalivaDetected and Quantified1-6985 uMAdult (>18 years old)Male
normal		 details
SalivaDetected and Quantified1-9528 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified277 (<1-2662) uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified1-1624 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified1-5647 uMAdult (>18 years old)Male
Normal		 details
SalivaDetected and Quantified1-6820 uMAdult (>18 years old)Female
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
SweatDetected and Quantified30000 uMAdult (60 years old)Male
Normal		 details
SweatDetected and Quantified< 10 uMAdult (40 years old)Male
Normal		 details
SweatDetected but not QuantifiedNot QuantifiedAdult BothNormal details
UrineDetected but not QuantifiedNot QuantifiedChildren (1-13 years old)Male
Normal		 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected and Quantified15491.64-38812.40 umol/mmol creatinineAdult (>18 years old)BothNormal
    • David F. Putnam C...
 details
UrineDetected and Quantified22566.0 +/- 4407.0 umol/mmol creatinineAdult (>18 years old)BothNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified6286.43 umol/mmol creatinineAdult (>18 years old)MaleNormal
    • Shaykhutdinov RA,...
 details
UrineDetected and Quantified12285 (174-49097) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified55008.542 +/- 103035.182 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified25033.333 +/- 6540 umol/mmol creatinineAdult (>18 years old)FemaleNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Normal		 details
UrineDetected and Quantified29.6 (6.579-52.6) umol/mmol creatinineAdult (>18 years old)BothNormal
      Not Available
 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Female
Breast cancer		 details
BloodDetected and Quantified1998.16-2497.70 uMAdult (>18 years old)Male
Primary Hypomagnesemia		 details
BloodDetected and Quantified3500.0 +/- 1500.0 uMAdult (>18 years old)BothCirrhosis details
BloodDetected and Quantified3309.9 +/- 1844 uMAdult (>18 years old)BothHeart Transplant details
BloodDetected and Quantified4495.856 uMInfant (0-1 year old)FemalePrimary Familial Xanthomatosis With Involvement and Calcification of the Adrenals details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal cancer details
BloodDetected and Quantified11389.503 uMNewborn (0-30 days old)FemaleBartter Syndrome, Type 4B, Neonatal, With Sensorineural Deafness details
BloodDetected and Quantified7193.37 uMInfant (0-1 year old)FemaleBartter Syndrome, Type 4B, Neonatal, With Sensorineural Deafness details
BloodDetected and Quantified4945.442-9524.555 uMChildren (1-13 years old)FemaleBartter Syndrome, Type 4B, Neonatal, With Sensorineural Deafness details
BloodDetected and Quantified6400 uMNewborn (0-30 days old)FemaleBartter Syndrome, Type 2, Antenatal details
BloodDetected and Quantified38333.333 +/- 18333.333 uMAdult (>18 years old)Both
Uremia		 details
BloodDetected and Quantified5000 uMAdult (>18 years old)MaleDimethylglycinuria details
Cerebrospinal Fluid (CSF)Detected but not QuantifiedNot QuantifiedAdult (>18 years old)Female
Breast cancer		 details
Cerebrospinal Fluid (CSF)Detected and Quantified1800.0 (1500.0-2100.0) uMAdult (>18 years old)BothTuberculous meningitis details
Cerebrospinal Fluid (CSF)Detected and Quantified2150.0 (1850.0-2450.0) uMAdult (>18 years old)Both
Meningitis		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
FecesDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Cryptosporidium infection		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal cancer		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleSupragingival Plaque details
UrineDetected and Quantified95178.255 +/- 174047.532 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal cancer details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Male
Hepatocellular carcinoma 		details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Female
Breast cancer		 details
Associated Disorders and Diseases
Disease References
Cirrhosis
  1. Marescau B, De Deyn PP, Holvoet J, Possemiers I, Nagels G, Saxena V, Mahler C: Guanidino compounds in serum and urine of cirrhotic patients. Metabolism. 1995 May;44(5):584-8. [PubMed:7752905 ]
Colorectal cancer
  1. Ni Y, Xie G, Jia W: Metabonomics of human colorectal cancer: new approaches for early diagnosis and biomarker discovery. J Proteome Res. 2014 Sep 5;13(9):3857-70. doi: 10.1021/pr500443c. Epub 2014 Aug 14. [PubMed:25105552 ]
  2. Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
  3. Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
Primary hypomagnesemia
  1. Jin-no Y, Kamiya Y, Okada M, Hirako M, Takada N, Kawaguchi M: Primary hypomagnesemia caused by isolated magnesium malabsorption: atypical case in adult. Intern Med. 1999 Mar;38(3):261-5. [PubMed:10337938 ]
Bartter Syndrome, Type 2, Antenatal
  1. Chan WK, To KF, Tong JH, Law CW: Paradoxical hypertension and salt wasting in Type II Bartter syndrome. Clin Kidney J. 2012 Jun;5(3):217-20. doi: 10.1093/ckj/sfs026. Epub 2012 Mar 29. [PubMed:26069767 ]
Bartter Syndrome, Type 4B, Neonatal, With Sensorineural Deafness
  1. Nozu K, Inagaki T, Fu XJ, Nozu Y, Kaito H, Kanda K, Sekine T, Igarashi T, Nakanishi K, Yoshikawa N, Iijima K, Matsuo M: Molecular analysis of digenic inheritance in Bartter syndrome with sensorineural deafness. J Med Genet. 2008 Mar;45(3):182-6. doi: 10.1136/jmg.2007.052944. [PubMed:18310267 ]
Dimethylglycine Dehydrogenase Deficiency
  1. Moolenaar SH, Poggi-Bach J, Engelke UF, Corstiaensen JM, Heerschap A, de Jong JG, Binzak BA, Vockley J, Wevers RA: Defect in dimethylglycine dehydrogenase, a new inborn error of metabolism: NMR spectroscopy study. Clin Chem. 1999 Apr;45(4):459-64. [PubMed:10102904 ]
Uremia
  1. Vanholder R, De Smet R, Glorieux G, Argiles A, Baurmeister U, Brunet P, Clark W, Cohen G, De Deyn PP, Deppisch R, Descamps-Latscha B, Henle T, Jorres A, Lemke HD, Massy ZA, Passlick-Deetjen J, Rodriguez M, Stegmayr B, Stenvinkel P, Tetta C, Wanner C, Zidek W: Review on uremic toxins: classification, concentration, and interindividual variability. Kidney Int. 2003 May;63(5):1934-43. doi: 10.1046/j.1523-1755.2003.00924.x. [PubMed:12675874 ]
Tuberculous meningitis
  1. Subramanian A, Gupta A, Saxena S, Gupta A, Kumar R, Nigam A, Kumar R, Mandal SK, Roy R: Proton MR CSF analysis and a new software as predictors for the differentiation of meningitis in children. NMR Biomed. 2005 Jun;18(4):213-25. [PubMed:15627241 ]
Meningitis
  1. Subramanian A, Gupta A, Saxena S, Gupta A, Kumar R, Nigam A, Kumar R, Mandal SK, Roy R: Proton MR CSF analysis and a new software as predictors for the differentiation of meningitis in children. NMR Biomed. 2005 Jun;18(4):213-25. [PubMed:15627241 ]
Supragingival Plaque
  1. Liebsch C, Pitchika V, Pink C, Samietz S, Kastenmuller G, Artati A, Suhre K, Adamski J, Nauck M, Volzke H, Friedrich N, Kocher T, Holtfreter B, Pietzner M: The Saliva Metabolome in Association to Oral Health Status. J Dent Res. 2019 Jun;98(6):642-651. doi: 10.1177/0022034519842853. Epub 2019 Apr 26. [PubMed:31026179 ]
Eosinophilic esophagitis
  1. Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
Hepatocellular carcinoma
  1. Wu H, Xue R, Dong L, Liu T, Deng C, Zeng H, Shen X: Metabolomic profiling of human urine in hepatocellular carcinoma patients using gas chromatography/mass spectrometry. Anal Chim Acta. 2009 Aug 19;648(1):98-104. doi: 10.1016/j.aca.2009.06.033. Epub 2009 Jun 21. [PubMed:19616694 ]
Perillyl alcohol administration for cancer treatment
  1. Nam H, Chung BC, Kim Y, Lee K, Lee D: Combining tissue transcriptomics and urine metabolomics for breast cancer biomarker identification. Bioinformatics. 2009 Dec 1;25(23):3151-7. doi: 10.1093/bioinformatics/btp558. Epub 2009 Sep 25. [PubMed:19783829 ]
Associated OMIM IDs
  • 114500 (Colorectal cancer)
  • 248250 (Primary hypomagnesemia)
  • 241200 (Bartter Syndrome, Type 2, Antenatal)
  • 613090 (Bartter Syndrome, Type 4B, Neonatal, With Sensorineural Deafness)
  • 605850 (Dimethylglycine Dehydrogenase Deficiency)
  • 610247 (Eosinophilic esophagitis)
  • 114550 (Hepatocellular carcinoma)
DrugBank IDDB03904
Phenol Explorer Compound IDNot Available
FooDB IDFDB012174
KNApSAcK IDC00007314
Chemspider ID1143
KEGG Compound IDC00086
BioCyc IDUREA
BiGG ID33799
Wikipedia LinkUrea
METLIN ID6
PubChem Compound1176
PDB IDNot Available
ChEBI ID16199
Food Biomarker OntologyNot Available
VMH IDUREA
MarkerDB IDMDB00000138
Good Scents IDNot Available
References
Synthesis ReferenceLeuthardt, F.; Glasson, B. Biological synthesis of urea. Verhandl. Ver. schweiz. Physiol. (1942), 21 25-7.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  1. 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 ]
  2. Subramanian A, Gupta A, Saxena S, Gupta A, Kumar R, Nigam A, Kumar R, Mandal SK, Roy R: Proton MR CSF analysis and a new software as predictors for the differentiation of meningitis in children. NMR Biomed. 2005 Jun;18(4):213-25. [PubMed:15627241 ]
  3. Deja M, Hildebrandt B, Ahlers O, Riess H, Wust P, Gerlach H, Kerner T: Goal-directed therapy of cardiac preload in induced whole-body hyperthermia. Chest. 2005 Aug;128(2):580-6. [PubMed:16100141 ]
  4. Klassen P, Furst P, Schulz C, Mazariegos M, Solomons NW: Plasma free amino acid concentrations in healthy Guatemalan adults and in patients with classic dengue. Am J Clin Nutr. 2001 Mar;73(3):647-52. [PubMed:11237944 ]
  5. Georges J: Determination of ammonia and urea in urine and of urea in blood by use of an ammonia-selective electrode. Clin Chem. 1979 Nov;25(11):1888-90. [PubMed:498498 ]
  6. Vaidya VS, Bonventre JV: Mechanistic biomarkers for cytotoxic acute kidney injury. Expert Opin Drug Metab Toxicol. 2006 Oct;2(5):697-713. [PubMed:17014390 ]
  7. Nandan RK, Sivapathasundharam B, Sivakumar G: Oral manifestations and analysis of salivary and blood urea levels of patients under going haemo dialysis and kidney transplant. Indian J Dent Res. 2005 Jul-Sep;16(3):77-82. [PubMed:16454320 ]
  8. Zocco MA, Di Campli C, Gaspari R, Candelli M, Nista EC, Zileri Dal Verme L, Di Gioacchino G, Santoliquido A, Flore R, Tondi P, Proietti R, Pola P, Gasbarrini G, Gasbarrini A: Improvement of mitochondrial function evaluated by ketoisocaproic acid breath test in patients with HCV infection undergoing albumin dialysis. Transplant Proc. 2005 Jul-Aug;37(6):2554-6. [PubMed:16182741 ]
  9. Kohnle M, Pietruck F, Kribben A, Philipp T, Heemann U, Witzke O: Ezetimibe for the treatment of uncontrolled hypercholesterolemia in patients with high-dose statin therapy after renal transplantation. Am J Transplant. 2006 Jan;6(1):205-8. [PubMed:16433776 ]
  10. Malyszko J, Malyszko J, Wolczynski S, Mysliwiec M: Adiponectin, leptin and thyroid hormones in patients with chronic renal failure and on renal replacement therapy: are they related? Nephrol Dial Transplant. 2006 Jan;21(1):145-52. Epub 2005 Sep 2. [PubMed:16141459 ]
  11. Miller TR, Anderson RJ, Linas SL, Henrich WL, Berns AS, Gabow PA, Schrier RW: Urinary diagnostic indices in acute renal failure: a prospective study. Ann Intern Med. 1978 Jul;89(1):47-50. [PubMed:666184 ]
  12. Authors unspecified: Final report of the safety assessment of Urea. Int J Toxicol. 2005;24 Suppl 3:1-56. [PubMed:16422263 ]
  13. Miles L, Heubi JE, Bove KE: Hepatocyte glycogen accumulation in patients undergoing dietary management of urea cycle defects mimics storage disease. J Pediatr Gastroenterol Nutr. 2005 Apr;40(4):471-6. [PubMed:15795597 ]
  14. Hobbs JR: Monitoring myelomatosis. Arch Intern Med. 1975 Jan;135(1):125-30. [PubMed:1111461 ]
  15. Racz I, Soos G, Jakab E: [Water content of the skin following salicylic acid and urea treatment]. Hautarzt. 1989;40 Suppl 9:61-2. [PubMed:2807925 ]
  16. Younes H, Alphonse JC, Deteix R: [Role of dietary fibers in the nutritional management of chronic renal failure]. Nephrologie. 2004;25(7):283-5. [PubMed:15584637 ]
  17. Roszczenko A, Galazyn-Sidorczuk M, Brzoska MM, Moniuszko-Jakoniuk J, Zwierz K: [Select parameters of renal function in smokers in correlation with the exposure to cadmium]. Przegl Lek. 2004;61(4):348-50. [PubMed:15521599 ]
  18. Gowda GA, Somashekar BS, Ijare OB, Sharma A, Kapoor VK, Khetrapal CL: One-step analysis of major bile components in human bile using 1H NMR spectroscopy. Lipids. 2006 Jun;41(6):577-89. [PubMed:16981436 ]
  19. Kurekci AE, Atay AA, Sarici SU, Yesilkaya E, Senses Z, Okutan V, Ozcan O: Is there a relationship between childhood Helicobacter pylori infection and iron deficiency anemia? J Trop Pediatr. 2005 Jun;51(3):166-9. Epub 2005 Apr 26. [PubMed:15855306 ]
  20. Fostel J, Boneva R, Lloyd A: Exploration of the gene expression correlates of chronic unexplained fatigue using factor analysis. Pharmacogenomics. 2006 Apr;7(3):441-54. [PubMed:16610954 ]
  21. Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Only showing the first 10 proteins. There are 12 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Arginase-1
General function:
Involved in arginase activity
Specific function:
Not Available
Gene Name:
ARG1
Uniprot ID:
P05089
Molecular weight:
34734.655
Reactions
L-Arginine + Water → Ornithine + Ureadetails
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]
Enzyme Details
2. Arginase-2, mitochondrial
General function:
Involved in arginase activity
Specific function:
May play a role in the regulation of extra-urea cycle arginine metabolism and also in down-regulation of nitric oxide synthesis. Extrahepatic arginase functions to regulate L-arginine bioavailability to NO synthase. Since NO synthase is found in the penile corpus cavernosum smooth muscle, the clitoral corpus cavernosum and the vagina, arginase II plays a role in both male and female sexual arousal. It is therefore a potential target for the treatment of male and female sexual arousal disorders.
Gene Name:
ARG2
Uniprot ID:
P78540
Molecular weight:
38577.515
Reactions
L-Arginine + Water → Ornithine + Ureadetails
Enzyme Details
3. Carbonic anhydrase 2
General function:
Involved in carbonate dehydratase activity
Specific function:
Essential for bone resorption and osteoclast differentiation (By similarity). Reversible hydration of carbon dioxide. Can hydrate cyanamide to urea. Involved in the regulation of fluid secretion into the anterior chamber of the eye.
Gene Name:
CA2
Uniprot ID:
P00918
Molecular weight:
29245.895
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Enzyme Details
4. Catenin beta-1
General function:
Involved in binding
Specific function:
Involved in signal transduction through the Wnt pathway. Nuclear beta-catenin it involved in transcriptional regulation by association with transcription factors of the TCF/LEF family
Gene Name:
CTNNB1
Uniprot ID:
P35222
Molecular weight:
85495.9
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235 ]
Enzyme Details
5. Agmatinase, mitochondrial
General function:
Involved in agmatinase activity
Specific function:
Not Available
Gene Name:
AGMAT
Uniprot ID:
Q9BSE5
Molecular weight:
37660.065
Reactions
Agmatine + Water → Putrescine + Ureadetails
Enzyme Details
6. G-protein coupled receptor family C group 6 member A
General function:
Involved in G-protein coupled receptor activity
Specific function:
Receptor that is activated by both amino acids and extracellular concentration of calcium ions. The activity of this receptor is mediated by a G-protein that activates a phosphatidylinositol-calcium second messenger system. Senses changes in the extracellular concentration of calcium ions, suggesting that it may mediate extracellular calcium-sensing responses in osteoblasts. Osteocalin, stimulates its activity in presence of calcium. Has a lower affinity for calcium than CASR. Also acts as a receptor for amino acids, with a preference for basic amino acids such as L-Lys, L-Arg and L-ornithine. Its affinity for amino acids suggests that it may act as a regulatory component of the urea cycle
Gene Name:
GPRC6A
Uniprot ID:
Q5T6X5
Molecular weight:
104752.2
Enzyme Details
7. Probable allantoicase
General function:
Involved in allantoicase activity
Specific function:
The function of this enzyme is unclear as allantoicase activity is not known to exist in mammals.
Gene Name:
ALLC
Uniprot ID:
Q8N6M5
Molecular weight:
43558.25
Reactions
Allantoic acid + Water → (S)-Ureidoglycolic acid + Ureadetails
Enzyme Details
8. HERV-K_5q33.3 provirus ancestral Pro protein
General function:
Involved in nucleic acid binding
Specific function:
Retroviral proteases have roles in processing of the primary translation products and the maturation of the viral particle. Endogenous Pro proteins may have kept, lost or modified their original function during evolution. This endogenous protein has retained most of the characteristics of retroviral proteases
Gene Name:
Not Available
Uniprot ID:
P10265
Molecular weight:
17107.6
Enzyme Details
9. Urea transporter JK glycoprotein
General function:
Involved in urea transmembrane transporter activity
Specific function:
Not Available
Gene Name:
JK
Uniprot ID:
Q8WXW8
Molecular weight:
3988.6
Enzyme Details
10. Blood group Kidd urea transporter
General function:
Involved in urea transmembrane transporter activity
Specific function:
Not Available
Gene Name:
HUT11
Uniprot ID:
Q71UV7
Molecular weight:
5627.5

Transporters

Enzyme Details
1. Urea transporter 2
General function:
Involved in urea transmembrane transporter activity
Specific function:
Specialized low-affinity vasopressin-regulated urea transporter. Mediates rapid transepithelial urea transport across the inner medullary collecting duct and plays a major role in the urinary concentrating mechanism.
Gene Name:
SLC14A2
Uniprot ID:
Q15849
Molecular weight:
101207.965
References
  1. Wall SM, Han JS, Chou CL, Knepper MA: Kinetics of urea and water permeability activation by vasopressin in rat terminal IMCD. Am J Physiol. 1992 Jun;262(6 Pt 2):F989-98. [PubMed:1320335 ]
Enzyme Details
2. Urea transporter 1
General function:
Involved in urea transmembrane transporter activity
Specific function:
Specialized low-affinity urea transporter. Mediates urea transport in erythrocytes.
Gene Name:
SLC14A1
Uniprot ID:
Q13336
Molecular weight:
48341.29
References
  1. Ripoche P, Rousselet G: [Urea transporters]. Nephrologie. 1996;17(7):383-8. [PubMed:9019665 ]
  2. Olives B, Mattei MG, Huet M, Neau P, Martial S, Cartron JP, Bailly P: Kidd blood group and urea transport function of human erythrocytes are carried by the same protein. J Biol Chem. 1995 Jun 30;270(26):15607-10. [PubMed:7797558 ]

Only showing the first 10 proteins. There are 12 proteins in total.

Show all enzymes and transporters