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Showing metabocard for Creatine (HMDB0000064)

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enzymes (9)transporters (1) Show 10 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-07 16:24:01 UTC
HMDB IDHMDB0000064
Secondary Accession Numbers
  • HMDB00064
Metabolite Identification
Common NameCreatine
DescriptionCreatine, is a naturally occurring non-protein compound. It belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Creatine is found in all vertebrates where it facilitates recycling of adenosine triphosphate (ATP). Its primary metabolic role is to combine with a phosphoryl group, via the enzyme creatine kinase, to generate phosphocreatine, which is used to regenerate ATP. Most of the human body's total creatine and phosphocreatine stores are found in skeletal muscle (95%), while the remainder is distributed in the blood, brain, testes, and other tissues. Creatine is not an essential nutrient as it is naturally produced in the human body from the amino acids glycine and arginine, with an additional requirement for methionine to catalyze the transformation of guanidinoacetate to creatine. In the first step of its biosynthesis glycine and arginine are combined by the enzyme arginine:glycine amidinotransferase (AGAT) to form guanidinoacetate, which is then methylated by guanidinoacetate N-methyltransferase (GAMT), using S-adenosyl methionine as the methyl donor. Creatine can also be obtained through the diet at a rate of about 1 gram per day from an omnivorous diet. A cyclic form of creatine, called creatinine, exists in equilibrium with its tautomer and with creatine. Clinically, there are three distinct disorders of creatine metabolism. Deficiencies in the two synthesis enzymes (AGAT and GAMT) can cause L-arginine:glycine amidinotransferase deficiency (caused by variants in AGAT) and guanidinoacetate methyltransferase deficiency (caused by variants in GAMT). Both disorders are inherited in an autosomal recessive manner. A third defect, creatine transporter defect, is caused by mutations in SLC6A8 and inherited in a X-linked manner. Creatine is widely used as a supplement by athletes. Its use can increase maximum power and performance in high-intensity anaerobic repetitive work (periods of work and rest) by 5 to 15% (PMID: 24688272 ). Creatine has no significant effect on aerobic endurance, although it will increase power during short sessions of high-intensity aerobic exercise (PMID: 9662683 ).
Structure
Data?1582752110
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000064 (Creatine)


  Mrv1652303182019232D          

  9  8  0  0  0  0            999 V2000
 9987.5558 9987.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9988.2695 9988.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.9847 9987.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.6999 9988.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9988.9847 9986.8578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9986.8414 9988.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9986.8414 9988.9190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9986.1269 9987.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9987.5558 9986.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
Download

3D MOL for HMDB0000064 (Creatine)

HMDB0000064
     RDKit          3D
Creatine
 18 17  0  0  0  0  0  0  0  0999 V2000
    0.4532   -1.6037    0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1264   -0.3892   -0.2502 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6349    0.4458   -1.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    1.0856   -0.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5760    1.8634   -1.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0183    0.8280    0.9116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4294   -0.0257    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4102   -0.6434   -0.4454 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7031    0.9766    1.1117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785   -2.2086    0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7556   -2.2388   -0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040   -1.4132    0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889   -0.2124   -1.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0541    1.2780   -1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2471    1.0039    1.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775   -1.3781   -1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3232    0.8383    2.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2713    1.7935    0.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  2  3
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
M  END
Download

3D SDF for HMDB0000064 (Creatine)


  Mrv1652303182019232D          

  9  8  0  0  0  0            999 V2000
 9987.5558 9987.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9988.2695 9988.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.9847 9987.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.6999 9988.0946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9988.9847 9986.8578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9986.8414 9988.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9986.8414 9988.9190    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9986.1269 9987.6828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
 9987.5558 9986.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000064

> <DATABASE_NAME>
hmdb

> <SMILES>
CN(CC(O)=O)C(N)=N

> <INCHI_IDENTIFIER>
InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)

> <INCHI_KEY>
CVSVTCORWBXHQV-UHFFFAOYSA-N

> <FORMULA>
C4H9N3O2

> <MOLECULAR_WEIGHT>
131.1332

> <EXACT_MASS>
131.069476547

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
18

> <JCHEM_AVERAGE_POLARIZABILITY>
12.170880209535248

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-(N-methylcarbamimidamido)acetic acid

> <ALOGPS_LOGP>
-1.59

> <JCHEM_LOGP>
-2.8642238844128185

> <ALOGPS_LOGS>
-1.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.501029063602651

> <JCHEM_PKA_STRONGEST_BASIC>
12.429771248504041

> <JCHEM_POLAR_SURFACE_AREA>
90.41

> <JCHEM_REFRACTIVITY>
42.0127

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.11e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
creatine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0000064 (Creatine)

HMDB0000064
     RDKit          3D
Creatine
 18 17  0  0  0  0  0  0  0  0999 V2000
    0.4532   -1.6037    0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1264   -0.3892   -0.2502 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6349    0.4458   -1.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7874    1.0856   -0.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5760    1.8634   -1.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0183    0.8280    0.9116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4294   -0.0257    0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4102   -0.6434   -0.4454 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7031    0.9766    1.1117 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2785   -2.2086    0.8476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7556   -2.2388   -0.6051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040   -1.4132    0.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9889   -0.2124   -1.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0541    1.2780   -1.5797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2471    1.0039    1.5443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2775   -1.3781   -1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3232    0.8383    2.0631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2713    1.7935    0.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  2  7  1  0
  7  8  2  3
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
M  END
Download

PDB for HMDB0000064 (Creatine)

HEADER    PROTEIN                                 18-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   18-MAR-20         0                                  
HETATM    1  N   UNK     0    8643.4378643.675   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0    8644.7708644.443   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8646.1058643.675   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0    8647.4408644.443   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8646.1058642.135   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0    8642.1048644.443   0.000  0.00  0.00           C+0
HETATM    7  N   UNK     0    8642.1048645.982   0.000  0.00  0.00           N+0
HETATM    8  N   UNK     0    8640.7708643.675   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0    8643.4378642.135   0.000  0.00  0.00           C+0
CONECT    1    2    6    9                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    1    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6                                                            
CONECT    9    1                                                            
MASTER        0    0    0    0    0    0    0    0    9    0   16    0
END
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3D PDB for HMDB0000064 (Creatine)

COMPND    HMDB0000064
HETATM    1  C1  UNL     1       0.453  -1.604   0.252  1.00  0.00           C  
HETATM    2  N1  UNL     1      -0.126  -0.389  -0.250  1.00  0.00           N  
HETATM    3  C2  UNL     1       0.635   0.446  -1.132  1.00  0.00           C  
HETATM    4  C3  UNL     1       1.787   1.086  -0.438  1.00  0.00           C  
HETATM    5  O1  UNL     1       2.576   1.863  -1.026  1.00  0.00           O  
HETATM    6  O2  UNL     1       2.018   0.828   0.912  1.00  0.00           O  
HETATM    7  C4  UNL     1      -1.429  -0.026   0.134  1.00  0.00           C  
HETATM    8  N2  UNL     1      -2.410  -0.643  -0.445  1.00  0.00           N  
HETATM    9  N3  UNL     1      -1.703   0.977   1.112  1.00  0.00           N  
HETATM   10  H1  UNL     1      -0.278  -2.209   0.848  1.00  0.00           H  
HETATM   11  H2  UNL     1       0.756  -2.239  -0.605  1.00  0.00           H  
HETATM   12  H3  UNL     1       1.304  -1.413   0.945  1.00  0.00           H  
HETATM   13  H4  UNL     1       0.989  -0.212  -1.970  1.00  0.00           H  
HETATM   14  H5  UNL     1       0.054   1.278  -1.580  1.00  0.00           H  
HETATM   15  H6  UNL     1       1.247   1.004   1.544  1.00  0.00           H  
HETATM   16  H7  UNL     1      -2.277  -1.378  -1.163  1.00  0.00           H  
HETATM   17  H8  UNL     1      -1.323   0.838   2.063  1.00  0.00           H  
HETATM   18  H9  UNL     1      -2.271   1.793   0.801  1.00  0.00           H  
CONECT    1    2   10   11   12
CONECT    2    3    7
CONECT    3    4   13   14
CONECT    4    5    5    6
CONECT    6   15
CONECT    7    8    8    9
CONECT    8   16
CONECT    9   17   18
END
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SMILES for HMDB0000064 (Creatine)

CN(CC(O)=O)C(N)=N
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INCHI for HMDB0000064 (Creatine)

InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
((Amino(imino)methyl)(methyl)amino)acetic acidChEBI
(alpha-Methylguanido)acetic acidChEBI
(N-Methylcarbamimidamido)acetic acidChEBI
alpha-Methylguanidino acetic acidChEBI
CreatinChEBI
KreatinChEBI
MethylglycocyamineChEBI
N-(Aminoiminomethyl)-N-methylglycineChEBI
N-[(e)-AMINO(imino)methyl]-N-methylglycineChEBI
N-AmidinosarcosineChEBI
N-Carbamimidoyl-N-methylglycineChEBI
N-Methyl-N-guanylglycineChEBI
((Amino(imino)methyl)(methyl)amino)acetateGenerator
(a-Methylguanido)acetateGenerator
(a-Methylguanido)acetic acidGenerator
(alpha-Methylguanido)acetateGenerator
(Α-methylguanido)acetateGenerator
(Α-methylguanido)acetic acidGenerator
(N-Methylcarbamimidamido)acetateGenerator
a-Methylguanidino acetateGenerator
a-Methylguanidino acetic acidGenerator
alpha-Methylguanidino acetateGenerator
Α-methylguanidino acetateGenerator
Α-methylguanidino acetic acidGenerator
Cosmocair C 100HMDB
Creatine hydrateHMDB
KrebiozonHMDB
MethylguanidoacetateHMDB
Methylguanidoacetic acidHMDB
N-(Aminoiminomethyl)-N-methyl-glycineHMDB
PhosphagenHMDB
[[Amino(imino)methyl](methyl)amino]acetateHMDB
[[Amino(imino)methyl](methyl)amino]acetic acidHMDB
Chemical FormulaC4H9N3O2
Average Molecular Weight131.1332
Monoisotopic Molecular Weight131.069476547
IUPAC Name2-(N-methylcarbamimidamido)acetic acid
Traditional Namecreatine
CAS Registry Number57-00-1
SMILES
CN(CC(O)=O)C(N)=N
InChI Identifier
InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
InChI KeyCVSVTCORWBXHQV-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentAlpha amino acids and derivatives
Alternative Parents
Substituents
  • Alpha-amino acid or derivatives
  • Guanidine
  • Carboximidamide
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Imine
  • 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 Point303 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility13.3 mg/mL at 18 °CNot Available
LogPNot AvailableNot Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+MetCCS_train_pos125.85730932474
[M+H]+Not Available125.8http://allccs.zhulab.cn/database/detail?ID=AllCCS00000486
Predicted Molecular Properties
PropertyValueSource
Water Solubility4.11 g/LALOGPS
logP-1.6ALOGPS
logP-2.9ChemAxon
logS-1.5ALOGPS
pKa (Strongest Acidic)3.5ChemAxon
pKa (Strongest Basic)12.43ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area90.41 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity42.01 m³·mol⁻¹ChemAxon
Polarizability12.17 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]+127.96131661259
DarkChem[M-H]-120.94931661259
AllCCS[M+H]+131.50932859911
AllCCS[M-H]-125.56432859911
DeepCCS[M+H]+127.62430932474
DeepCCS[M-H]-125.55330932474
DeepCCS[M-2H]-161.93630932474
DeepCCS[M+Na]+136.62530932474
AllCCS[M+H]+131.532859911
AllCCS[M+H-H2O]+127.532859911
AllCCS[M+NH4]+135.332859911
AllCCS[M+Na]+136.432859911
AllCCS[M-H]-125.632859911
AllCCS[M+Na-2H]-128.432859911
AllCCS[M+HCOO]-131.632859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
CreatineCN(CC(O)=O)C(N)=N2363.9Standard polar33892256
CreatineCN(CC(O)=O)C(N)=N1305.2Standard non polar33892256
CreatineCN(CC(O)=O)C(N)=N1712.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Creatine,1TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N)N1574.1Semi standard non polar33892256
Creatine,1TMS,isomer #2CN(CC(=O)O)C(=N)N[Si](C)(C)C1650.7Semi standard non polar33892256
Creatine,1TMS,isomer #3CN(CC(=O)O)C(N)=N[Si](C)(C)C1595.6Semi standard non polar33892256
Creatine,2TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C1680.9Semi standard non polar33892256
Creatine,2TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C1503.7Standard non polar33892256
Creatine,2TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N)N[Si](C)(C)C2576.1Standard polar33892256
Creatine,2TMS,isomer #2CN(CC(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C1580.8Semi standard non polar33892256
Creatine,2TMS,isomer #2CN(CC(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C1437.0Standard non polar33892256
Creatine,2TMS,isomer #2CN(CC(=O)O[Si](C)(C)C)C(N)=N[Si](C)(C)C2626.3Standard polar33892256
Creatine,2TMS,isomer #3CN(CC(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C1643.5Semi standard non polar33892256
Creatine,2TMS,isomer #3CN(CC(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C1489.8Standard non polar33892256
Creatine,2TMS,isomer #3CN(CC(=O)O)C(=N[Si](C)(C)C)N[Si](C)(C)C2461.9Standard polar33892256
Creatine,2TMS,isomer #4CN(CC(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C1752.7Semi standard non polar33892256
Creatine,2TMS,isomer #4CN(CC(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C1548.6Standard non polar33892256
Creatine,2TMS,isomer #4CN(CC(=O)O)C(=N)N([Si](C)(C)C)[Si](C)(C)C2518.8Standard polar33892256
Creatine,3TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C1657.6Semi standard non polar33892256
Creatine,3TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C1480.8Standard non polar33892256
Creatine,3TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N[Si](C)(C)C2231.3Standard polar33892256
Creatine,3TMS,isomer #2CN(CC(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C1694.8Semi standard non polar33892256
Creatine,3TMS,isomer #2CN(CC(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C1633.6Standard non polar33892256
Creatine,3TMS,isomer #2CN(CC(=O)O[Si](C)(C)C)C(=N)N([Si](C)(C)C)[Si](C)(C)C2184.5Standard polar33892256
Creatine,3TMS,isomer #3CN(CC(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1736.6Semi standard non polar33892256
Creatine,3TMS,isomer #3CN(CC(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1667.0Standard non polar33892256
Creatine,3TMS,isomer #3CN(CC(=O)O)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C2105.2Standard polar33892256
Creatine,4TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1755.8Semi standard non polar33892256
Creatine,4TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1655.3Standard non polar33892256
Creatine,4TMS,isomer #1CN(CC(=O)O[Si](C)(C)C)C(=N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C1913.1Standard polar33892256
Creatine,1TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N1800.7Semi standard non polar33892256
Creatine,1TBDMS,isomer #2CN(CC(=O)O)C(=N)N[Si](C)(C)C(C)(C)C1900.1Semi standard non polar33892256
Creatine,1TBDMS,isomer #3CN(CC(=O)O)C(N)=N[Si](C)(C)C(C)(C)C1828.5Semi standard non polar33892256
Creatine,2TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C2129.9Semi standard non polar33892256
Creatine,2TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C1894.1Standard non polar33892256
Creatine,2TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N[Si](C)(C)C(C)(C)C2537.6Standard polar33892256
Creatine,2TBDMS,isomer #2CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C1991.5Semi standard non polar33892256
Creatine,2TBDMS,isomer #2CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C1806.2Standard non polar33892256
Creatine,2TBDMS,isomer #2CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(N)=N[Si](C)(C)C(C)(C)C2724.2Standard polar33892256
Creatine,2TBDMS,isomer #3CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2081.6Semi standard non polar33892256
Creatine,2TBDMS,isomer #3CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C1825.0Standard non polar33892256
Creatine,2TBDMS,isomer #3CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2424.4Standard polar33892256
Creatine,2TBDMS,isomer #4CN(CC(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2149.6Semi standard non polar33892256
Creatine,2TBDMS,isomer #4CN(CC(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C1955.4Standard non polar33892256
Creatine,2TBDMS,isomer #4CN(CC(=O)O)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2457.2Standard polar33892256
Creatine,3TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2254.3Semi standard non polar33892256
Creatine,3TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C1992.0Standard non polar33892256
Creatine,3TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C2388.5Standard polar33892256
Creatine,3TBDMS,isomer #2CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2354.4Semi standard non polar33892256
Creatine,3TBDMS,isomer #2CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2245.4Standard non polar33892256
Creatine,3TBDMS,isomer #2CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2403.2Standard polar33892256
Creatine,3TBDMS,isomer #3CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2340.5Semi standard non polar33892256
Creatine,3TBDMS,isomer #3CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2166.5Standard non polar33892256
Creatine,3TBDMS,isomer #3CN(CC(=O)O)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2307.0Standard polar33892256
Creatine,4TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2540.4Semi standard non polar33892256
Creatine,4TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2382.7Standard non polar33892256
Creatine,4TBDMS,isomer #1CN(CC(=O)O[Si](C)(C)C(C)(C)C)C(=N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2302.6Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Creatine GC-EI-TOF (Non-derivatized)splash10-014i-0900000000-7739f1c16da098ff46612017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Creatine GC-EI-TOF (Non-derivatized)splash10-0002-0900000000-f89f340e776ae37776b32017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Creatine GC-EI-TOF (Non-derivatized)splash10-014i-0900000000-7739f1c16da098ff46612018-05-18HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Creatine GC-EI-TOF (Non-derivatized)splash10-0002-0900000000-f89f340e776ae37776b32018-05-18HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Creatine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9000000000-4697e8a17788c105f1aa2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Creatine GC-MS (1 TMS) - 70eV, Positivesplash10-00di-9600000000-ef8c833ca7ddb4b1a5002017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Creatine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Creatine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Creatine GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Creatine GC-MS (TMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Creatine GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Creatine GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Creatine GC-MS (TBDMS_1_3) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-0006-9100000000-47f885347545055f546d2014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine Quattro_QQQ 10V, Positive-QTOF (Annotated)splash10-000x-9800000000-bc1387ab36f71e04b9882012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine Quattro_QQQ 25V, Positive-QTOF (Annotated)splash10-0006-9000000000-6c686da36a88d9fbdbcf2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine Quattro_QQQ 40V, Positive-QTOF (Annotated)splash10-0006-9000000000-13b7d28e8f5be1c5dada2012-07-24HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-001i-0900000000-cc4bd4c587dd80f63bcb2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-0udi-3900000000-d35c7578ad50de8377b72012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-000i-9000000000-a4d7fee14f74e1ed8b4b2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-001i-0900000000-e5d62520dfcbf4bfe5c92012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-001i-0900000000-06fbcf897ccce3fa90b72012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-000i-9000000000-9a0b8275e74605a926812012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-000f-9000000000-5f622f2c3de4f213a8ed2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Positive-QTOFsplash10-001i-0900000000-20ba65c7a2c9434fcf392012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-01qc-0965022201-53bb6f168e0934ae4a872012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-000i-9000000000-638479794e8c3a6e0b612012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-004i-0900000000-39676937b1a3ad0dc0bc2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-03di-0090000000-d53c75786742ecdb3c162012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-001l-0945022201-2fc3f234454021c5e2022012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-000i-9000000000-40aa07f89dddb181e4892012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-001i-0900000000-5aca4d0b8ed7d2500af22012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-ITFT (LTQ Orbitrap XL, Thermo Scientfic) , Negative-QTOFsplash10-03di-0190000000-9a9685c32bf6c721a4972012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOFsplash10-001i-1900000000-c99f9492e0b84d5fae6b2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOFsplash10-0006-9300000000-8ab609e6dd62bd18841f2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOFsplash10-0006-9000000000-e04e407d5f06d21582c42012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOFsplash10-0006-9000000000-fd81d06317727fa740b12012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOFsplash10-0006-9000000000-8428e2af90720afb43372012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Creatine LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive-QTOFsplash10-001i-0900000000-3162b4c94e66796a643b2012-08-31HMDB team, MONAView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
  • Mitochondria
Biospecimen Locations
  • Blood
  • Breast Milk
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Sweat
  • Urine
Tissue Locations
  • Adipose Tissue
  • Bladder
  • Brain
  • Epidermis
  • Fibroblasts
  • Heart
  • Intestine
  • Kidney
  • Neuron
  • Placenta
  • Platelet
  • Prostate
  • Skeletal Muscle
  • Spleen
  • Testis
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified54.8 +/- 21.0 uMAdult (>18 years old)FemaleNormal details
BloodDetected and Quantified87 +/- 19 uMAdult (>18 years old)Not SpecifiedNormal details
BloodDetected and Quantified30.1 +/- 12.3 uMAdult (>18 years old)MaleNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified10-44 uMNot SpecifiedNot SpecifiedNormal details
BloodDetected and Quantified30-80 uMNot SpecifiedNot SpecifiedNormal details
BloodDetected and Quantified5-50 uMChildren (1-13 years old)Not SpecifiedNormal details
BloodDetected and Quantified17-109 uMChildren (1-13 years old)Not SpecifiedNormal details
BloodDetected and Quantified84.0 +/- 23.2 uMNewborn (0-30 days old)Not SpecifiedNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified53.0 (17.0 - 82.0) uMChildren (1-13 years old)Not SpecifiedNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified32.22 +/- 16.42 uMAdult (>18 years old)Both
Normal		 details
BloodDetected and Quantified74.0458 +/- 25.191 uMAdult (>18 years old)Both
Normal		 details
BloodDetected and Quantified50.77(21.53) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified33.8-75.8 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified36.7 +/- 28.3 uMAdult (>18 years old)BothNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Female
Normal		 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Female
Normal		 details
BloodDetected but not QuantifiedNot QuantifiedChildren (1-13 years old)Male
Normal		 details
Breast MilkDetected and Quantified51.6 +/- 24.5 uMAdult (>18 years old)Female
Normal		 details
Cerebrospinal Fluid (CSF)Detected and Quantified44 +/- 13 uMAdult (>18 years old)BothNormal details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedNormal details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
SalivaDetected and Quantified8.32 +/- 3.30 uMAdult (>18 years old)Male
Normal
    • Sugimoto et al. (...
 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
SalivaDetected and Quantified30.12 +/- 18.36 uMAdult (>18 years old)BothNormal
    • Zerihun T. Dame, ...
 details
SalivaDetected and Quantified23.2 +/- 29.4 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified30.7 +/- 14.6 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified33.9 +/- 45.9 uMAdult (>18 years old)Female
Normal
    • Sugimoto et al. (...
 details
SalivaDetected and Quantified25.94 +/- 9.75 uMAdult (>18 years old)FemaleNormal details
UrineDetected and Quantified113.0 (0.00-654.0) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified113(0-654) umol/mmol creatinineAdult (>18 years old)BothNormal details
UrineDetected and Quantified0.00082 +/- 0.0011 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified<35 umol/mmol creatinineNot SpecifiedNot SpecifiedNormal details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified0.00-404.37 umol/mmol creatinineAdult (>18 years old)BothNormal
    • David F. Putnam C...
 details
UrineDetected and Quantified25-776 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified10-1350 umol/mmol creatinineChildren (1 - 18 years old)Both
Normal
    • BC Children's Hos...
 details
UrineDetected and Quantified46 (3-448) umol/mmol creatinineAdult (>18 years old)Both
Normal		 details
UrineDetected and Quantified26.0 (5.0-95.0) umol/mmol creatinineAdult (>18 years old)MaleNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified46.0 (9.0-135.0) umol/mmol creatinineAdult (>18 years old)FemaleNormal
    • Geigy Scientific ...
    • West Cadwell, N.J...
    • Basel, Switzerlan...
 details
UrineDetected and Quantified11.30 umol/mmol creatinineAdult (>18 years old)MaleNormal
    • Shaykhutdinov RA,...
 details
UrineDetected and Quantified106.76 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected and Quantified497.145 +/- 435.142 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Normal
    • Analysis of 30 no...
 details
UrineDetected and Quantified6-1208 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified11-244 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified17-720 umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal details
UrineDetected and Quantified<70 umol/mmol creatinineNot SpecifiedNot SpecifiedNormal details
UrineDetected and Quantified4.66-455.3 umol/mmol creatinineNewborn (0-30 days old)BothNormal details
UrineDetected and Quantified13.68(4.63-104.0) umol/mmol creatinineNewborn (0-30 days old)FemaleNormal details
UrineDetected and Quantified14.93(4.74-455.8) umol/mmol creatinineNewborn (0-30 days old)MaleNormal details
UrineDetected and Quantified1-1.8 umol/mmol creatinineNewborn (0-30 days old)Both
Normal		 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
UrineDetected but not QuantifiedNot QuantifiedChildren (1-13 years old)Male
Normal		 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified33.8 +/- 37.7 uMAdult (>18 years old)BothHeart Transplant details
BloodDetected and Quantified40.3 (28.3-56.6) uMAdult (>18 years old)FemaleCirrhosis details
BloodDetected and Quantified528 +/- 42 uMChildren (1-13 years old)MaleHypermethioninemia details
BloodDetected and Quantified25.7 (16.5 - 30.8) uMAdult (>18 years old)MaleCirrhosis details
BloodDetected and Quantified30.3 +/- 12.8 uMAdult (>18 years old)Female
Pregnancy with fetuses with trisomy 18		 details
BloodDetected and Quantified35.6 +/- 15.15 uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified34.7 (10.6) uMAdult (>18 years old)FemaleEarly preeclampsia details
BloodDetected and Quantified37.4 (13.0) uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified75 uMChildren (1-13 years old)MaleCerebral creatine deficiency syndrome 1 details
BloodDetected and Quantified1 uMChildren (1-13 years old)FemaleCerebral creatine deficiency syndrome 3 details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothColorectal cancer details
BloodDetected and Quantified43.2 +/- 18.10 uMAdult (>18 years old)Both
Schizophrenia		 details
BloodDetected and Quantified25.5 (11.41) uMAdult (>18 years old)FemalePregnancy with fetus having congenital heart defect details
BloodDetected and Quantified23.84 (11.5) uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified1022.901 +/- 231.298 uMAdult (>18 years old)Both
Uremia		 details
BloodDetected and Quantified41.5 (5.9) uMAdult (>18 years old)FemaleLate-onset preeclampsia details
BloodDetected and Quantified33.4 (15.6) uMAdult (>18 years old)FemalePregnancy details
BloodDetected and Quantified121.89(372.94) uMAdult (>18 years old)BothHeart failure with reduced ejection fraction details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Pancreatic cancer		 details
BloodDetected and Quantified37.4 (13.3) uMAdult (>18 years old)FemaleDown syndrome pregnancy details
BloodDetected and Quantified34.4 (11.8) uMAdult (>18 years old)FemalePregnancy details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedCrohns disease details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUlcerative colitis details
FecesDetected but not QuantifiedNot QuantifiedChildren (6 - 18 years old)Not SpecifiedUnclassified IBD details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Irritable Bowel Syndrome		 details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleAttachment loss  details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MaleMissing teeth details
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)MalePeriodontal Probing Depth details
SalivaDetected and Quantified29.86 +/- 19.99 uMAdult (>18 years old)MaleAlzheimer's disease details
SalivaDetected and Quantified26.61 +/- 5.64 uMAdult (>18 years old)MaleFrontotemporal lobe dementia details
SalivaDetected and Quantified19.48 +/- 12.88 uMAdult (>18 years old)BothLewy body disease details
SweatDetected but not QuantifiedNot QuantifiedInfant (0-1 year old)Not Specifiedscreen-positive CF details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Schizophrenia		 details
UrineDetected and Quantified37.0 (0.0-197.0) umol/mmol creatinineNot SpecifiedBothLung cancer details
UrineDetected and Quantified1540 umol/mmol creatinineAdult (>18 years old)FemaleRhabdomyolysis details
UrineDetected and Quantified233.588 +/- 539.846 umol/mmol creatinineChildren (1 - 13 years old)Not Specified
Eosinophilic esophagitis
    • Analysis of 30 no...
 details
UrineDetected and Quantified31-40 umol/mmol creatinineChildren (1-13 years old)FemaleCerebral creatine deficiency syndrome 3 details
UrineDetected and Quantified220 umol/mmol creatinineChildren (1-13 years old)MaleCerebral creatine deficiency syndrome 1 details
UrineDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Colorectal adenoma 		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 ]
Pancreatic cancer
  1. Zhang L, Jin H, Guo X, Yang Z, Zhao L, Tang S, Mo P, Wu K, Nie Y, Pan Y, Fan D: Distinguishing pancreatic cancer from chronic pancreatitis and healthy individuals by (1)H nuclear magnetic resonance-based metabonomic profiles. Clin Biochem. 2012 Sep;45(13-14):1064-9. doi: 10.1016/j.clinbiochem.2012.05.012. Epub 2012 May 19. [PubMed:22613268 ]
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 ]
Schizophrenia
  1. Koike S, Bundo M, Iwamoto K, Suga M, Kuwabara H, Ohashi Y, Shinoda K, Takano Y, Iwashiro N, Satomura Y, Nagai T, Natsubori T, Tada M, Yamasue H, Kasai K: A snapshot of plasma metabolites in first-episode schizophrenia: a capillary electrophoresis time-of-flight mass spectrometry study. Transl Psychiatry. 2014 Apr 8;4:e379. doi: 10.1038/tp.2014.19. [PubMed:24713860 ]
  2. Cai HL, Li HD, Yan XZ, Sun B, Zhang Q, Yan M, Zhang WY, Jiang P, Zhu RH, Liu YP, Fang PF, Xu P, Yuan HY, Zhang XH, Hu L, Yang W, Ye HS: Metabolomic analysis of biochemical changes in the plasma and urine of first-episode neuroleptic-naive schizophrenia patients after treatment with risperidone. J Proteome Res. 2012 Aug 3;11(8):4338-50. doi: 10.1021/pr300459d. Epub 2012 Jul 26. [PubMed:22800120 ]
Early preeclampsia
  1. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: Metabolomics and first-trimester prediction of early-onset preeclampsia. J Matern Fetal Neonatal Med. 2012 Oct;25(10):1840-7. doi: 10.3109/14767058.2012.680254. Epub 2012 Apr 28. [PubMed:22494326 ]
Pregnancy
  1. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: Metabolomics and first-trimester prediction of early-onset preeclampsia. J Matern Fetal Neonatal Med. 2012 Oct;25(10):1840-7. doi: 10.3109/14767058.2012.680254. Epub 2012 Apr 28. [PubMed:22494326 ]
  2. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: First-trimester metabolomic detection of late-onset preeclampsia. Am J Obstet Gynecol. 2013 Jan;208(1):58.e1-7. doi: 10.1016/j.ajog.2012.11.003. Epub 2012 Nov 13. [PubMed:23159745 ]
  3. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: Metabolomic analysis for first-trimester Down syndrome prediction. Am J Obstet Gynecol. 2013 May;208(5):371.e1-8. doi: 10.1016/j.ajog.2012.12.035. Epub 2013 Jan 8. [PubMed:23313728 ]
  4. Bahado-Singh RO, Akolekar R, Chelliah A, Mandal R, Dong E, Kruger M, Wishart DS, Nicolaides K: Metabolomic analysis for first-trimester trisomy 18 detection. Am J Obstet Gynecol. 2013 Jul;209(1):65.e1-9. doi: 10.1016/j.ajog.2013.03.028. Epub 2013 Mar 25. [PubMed:23535240 ]
  5. Bahado-Singh RO, Ertl R, Mandal R, Bjorndahl TC, Syngelaki A, Han B, Dong E, Liu PB, Alpay-Savasan Z, Wishart DS, Nicolaides KH: Metabolomic prediction of fetal congenital heart defect in the first trimester. Am J Obstet Gynecol. 2014 Sep;211(3):240.e1-240.e14. doi: 10.1016/j.ajog.2014.03.056. Epub 2014 Apr 1. [PubMed:24704061 ]
Late-onset preeclampsia
  1. Bahado-Singh RO, Akolekar R, Mandal R, Dong E, Xia J, Kruger M, Wishart DS, Nicolaides K: First-trimester metabolomic detection of late-onset preeclampsia. Am J Obstet Gynecol. 2013 Jan;208(1):58.e1-7. doi: 10.1016/j.ajog.2012.11.003. Epub 2012 Nov 13. [PubMed:23159745 ]
Hypermethioninemia
  1. Baric I, Fumic K, Glenn B, Cuk M, Schulze A, Finkelstein JD, James SJ, Mejaski-Bosnjak V, Pazanin L, Pogribny IP, Rados M, Sarnavka V, Scukanec-Spoljar M, Allen RH, Stabler S, Uzelac L, Vugrek O, Wagner C, Zeisel S, Mudd SH: S-adenosylhomocysteine hydrolase deficiency in a human: a genetic disorder of methionine metabolism. Proc Natl Acad Sci U S A. 2004 Mar 23;101(12):4234-9. Epub 2004 Mar 15. [PubMed:15024124 ]
Cerebral creatine deficiency syndrome 3
  1. Nouioua S, Cheillan D, Zaouidi S, Salomons GS, Amedjout N, Kessaci F, Boulahdour N, Hamadouche T, Tazir M: Creatine deficiency syndrome. A treatable myopathy due to arginine-glycine amidinotransferase (AGAT) deficiency. Neuromuscul Disord. 2013 Aug;23(8):670-4. doi: 10.1016/j.nmd.2013.04.011. Epub 2013 Jun 14. [PubMed:23770102 ]
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 ]
Irritable bowel syndrome
  1. Hong YS, Hong KS, Park MH, Ahn YT, Lee JH, Huh CS, Lee J, Kim IK, Hwang GS, Kim JS: Metabonomic understanding of probiotic effects in humans with irritable bowel syndrome. J Clin Gastroenterol. 2011 May-Jun;45(5):415-25. doi: 10.1097/MCG.0b013e318207f76c. [PubMed:21494186 ]
Crohn's disease
  1. Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Ulcerative colitis
  1. Kolho KL, Pessia A, Jaakkola T, de Vos WM, Velagapudi V: Faecal and Serum Metabolomics in Paediatric Inflammatory Bowel Disease. J Crohns Colitis. 2017 Mar 1;11(3):321-334. doi: 10.1093/ecco-jcc/jjw158. [PubMed:27609529 ]
Alzheimer's disease
  1. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Frontotemporal dementia
  1. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Lewy body disease
  1. Tsuruoka M, Hara J, Hirayama A, Sugimoto M, Soga T, Shankle WR, Tomita M: Capillary electrophoresis-mass spectrometry-based metabolome analysis of serum and saliva from neurodegenerative dementia patients. Electrophoresis. 2013 Oct;34(19):2865-72. doi: 10.1002/elps.201300019. Epub 2013 Sep 6. [PubMed:23857558 ]
Attachment loss
  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 ]
Missing teeth
  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 ]
Periodontal Probing Depth
  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 ]
Cystic fibrosis
  1. Adriana Nori de Macedo. Robust capillary electrophoresis methods for biomarker discovery and routine measurements in clinical and epidemiological applications. March 2017 [Link]
Lung Cancer
  1. Stretch C, Eastman T, Mandal R, Eisner R, Wishart DS, Mourtzakis M, Prado CM, Damaraju S, Ball RO, Greiner R, Baracos VE: Prediction of skeletal muscle and fat mass in patients with advanced cancer using a metabolomic approach. J Nutr. 2012 Jan;142(1):14-21. doi: 10.3945/jn.111.147751. Epub 2011 Dec 7. [PubMed:22157537 ]
Rhabdomyolysis
  1. Bairaktari E, Seferiadis K, Liamis G, Psihogios N, Tsolas O, Elisaf M: Rhabdomyolysis-related renal tubular damage studied by proton nuclear magnetic resonance spectroscopy of urine. Clin Chem. 2002 Jul;48(7):1106-9. [PubMed:12089184 ]
Eosinophilic esophagitis
  1. Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
Cerebral creatine deficiency syndrome 1
  1. Salomons GS, van Dooren SJ, Verhoeven NM, Cecil KM, Ball WS, Degrauw TJ, Jakobs C: X-linked creatine-transporter gene (SLC6A8) defect: a new creatine-deficiency syndrome. Am J Hum Genet. 2001 Jun;68(6):1497-500. doi: 10.1086/320595. Epub 2001 Apr 20. [PubMed:11326334 ]
Associated OMIM IDs
DrugBank IDDB00148
Phenol Explorer Compound IDNot Available
FooDB IDFDB005403
KNApSAcK IDNot Available
Chemspider ID566
KEGG Compound IDC00300
BioCyc IDCREATINE
BiGG ID34543
Wikipedia LinkCreatine
METLIN ID7
PubChem Compound586
PDB IDNot Available
ChEBI ID16919
Food Biomarker OntologyNot Available
VMH IDCREAT
MarkerDB IDMDB00000033
Good Scents IDNot Available
References
Synthesis ReferenceThalhammer, Franz; Gastner, Thomas. Preparation of creatine, creatine monohydrate and guanidinoacetic acid. Ger. Offen. (2007), 5pp.
Material Safety Data Sheet (MSDS)Download (PDF)
General References
  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 ]
  2. Bales JR, Higham DP, Howe I, Nicholson JK, Sadler PJ: Use of high-resolution proton nuclear magnetic resonance spectroscopy for rapid multi-component analysis of urine. Clin Chem. 1984 Mar;30(3):426-32. [PubMed:6321058 ]
  3. Schonberger B: [Overactive bladder--which diagnosis investigations are necessary before initiating primary treatment?]. Urologe A. 2003 Jun;42(6):787-92. Epub 2003 Apr 25. [PubMed:12851769 ]
  4. Mercimek-Mahmutoglu S, Stoeckler-Ipsiroglu S, Adami A, Appleton R, Araujo HC, Duran M, Ensenauer R, Fernandez-Alvarez E, Garcia P, Grolik C, Item CB, Leuzzi V, Marquardt I, Muhl A, Saelke-Kellermann RA, Salomons GS, Schulze A, Surtees R, van der Knaap MS, Vasconcelos R, Verhoeven NM, Vilarinho L, Wilichowski E, Jakobs C: GAMT deficiency: features, treatment, and outcome in an inborn error of creatine synthesis. Neurology. 2006 Aug 8;67(3):480-4. Epub 2006 Jul 19. [PubMed:16855203 ]
  5. McConell GK, Shinewell J, Stephens TJ, Stathis CG, Canny BJ, Snow RJ: Creatine supplementation reduces muscle inosine monophosphate during endurance exercise in humans. Med Sci Sports Exerc. 2005 Dec;37(12):2054-61. [PubMed:16331129 ]
  6. McMorris T, Harris RC, Swain J, Corbett J, Collard K, Dyson RJ, Dye L, Hodgson C, Draper N: Effect of creatine supplementation and sleep deprivation, with mild exercise, on cognitive and psychomotor performance, mood state, and plasma concentrations of catecholamines and cortisol. Psychopharmacology (Berl). 2006 Mar;185(1):93-103. Epub 2006 Jan 17. [PubMed:16416332 ]
  7. Wang PF, McLeish MJ, Kneen MM, Lee G, Kenyon GL: An unusually low pK(a) for Cys282 in the active site of human muscle creatine kinase. Biochemistry. 2001 Oct 2;40(39):11698-705. [PubMed:11570870 ]
  8. Olsen S, Aagaard P, Kadi F, Tufekovic G, Verney J, Olesen JL, Suetta C, Kjaer M: Creatine supplementation augments the increase in satellite cell and myonuclei number in human skeletal muscle induced by strength training. J Physiol. 2006 Jun 1;573(Pt 2):525-34. Epub 2006 Mar 31. [PubMed:16581862 ]
  9. Ellington WR: A dimeric creatine kinase from a sponge: implications in terms of phosphagen kinase evolution. Comp Biochem Physiol B Biochem Mol Biol. 2000 May;126(1):1-7. [PubMed:10825659 ]
  10. Fredericks S, Murray JF, Bewick M, Chang R, Collinson PO, Carter ND, Holt DW: Cardiac troponin T and creatine kinase MB are not increased in exterior oblique muscle of patients with renal failure. Clin Chem. 2001 Jun;47(6):1023-30. [PubMed:11375287 ]
  11. Jiao YF, Okumiya T, Saibara T, Kudo Y, Sugiura T: Erythrocyte creatine as a marker of excessive erythrocyte destruction due to hypersplenism in patients with liver cirrhosis. Clin Biochem. 2001 Jul;34(5):395-8. [PubMed:11522277 ]
  12. Nicholson JK, Buckingham MJ, Sadler PJ: High resolution 1H n.m.r. studies of vertebrate blood and plasma. Biochem J. 1983 Jun 1;211(3):605-15. [PubMed:6411064 ]
  13. Sheth NP, Sennett B, Berns JS: Rhabdomyolysis and acute renal failure following arthroscopic knee surgery in a college football player taking creatine supplements. Clin Nephrol. 2006 Feb;65(2):134-7. [PubMed:16509464 ]
  14. Jenkins CB, Ghidini A, Spong CY, Eglinton GS, Pezzullo JC, Michejda M: Evaluation of early second trimester maternal serum creatine kinase isoenzyme BB as a marker of poor pregnancy outcome. Fetal Diagn Ther. 1997 Nov-Dec;12(6):356-9. [PubMed:9475367 ]
  15. Lukaszuk JM, Robertson RJ, Arch JE, Moyna NM: Effect of a defined lacto-ovo-vegetarian diet and oral creatine monohydrate supplementation on plasma creatine concentration. J Strength Cond Res. 2005 Nov;19(4):735-40. [PubMed:16287366 ]
  16. Preen DB, Dawson BT, Goodman C, Beilby J, Ching S: Comparison of erythrocyte and skeletal muscle creatine accumulation following creatine loading. Int J Sport Nutr Exerc Metab. 2005 Feb;15(1):84-93. [PubMed:15902992 ]
  17. Poortmans JR, Kumps A, Duez P, Fofonka A, Carpentier A, Francaux M: Effect of oral creatine supplementation on urinary methylamine, formaldehyde, and formate. Med Sci Sports Exerc. 2005 Oct;37(10):1717-20. [PubMed:16260971 ]
  18. Yoshizumi WM, Tsourounis C: Effects of creatine supplementation on renal function. J Herb Pharmacother. 2004;4(1):1-7. [PubMed:15273072 ]
  19. Harris RC, Almada AL, Harris DB, Dunnett M, Hespel P: The creatine content of Creatine Serum and the change in the plasma concentration with ingestion of a single dose. J Sports Sci. 2004 Sep;22(9):851-7. [PubMed:15513279 ]
  20. Mendes RR, Pires I, Oliveira A, Tirapegui J: Effects of creatine supplementation on the performance and body composition of competitive swimmers. J Nutr Biochem. 2004 Aug;15(8):473-8. [PubMed:15302082 ]
  21. Burke DG, Chilibeck PD, Parise G, Tarnopolsky MA, Candow DG: Effect of alpha-lipoic acid combined with creatine monohydrate on human skeletal muscle creatine and phosphagen concentration. Int J Sport Nutr Exerc Metab. 2003 Sep;13(3):294-302. [PubMed:14669930 ]
  22. Hultman E, Soderlund K, Timmons JA, Cederblad G, Greenhaff PL: Muscle creatine loading in men. J Appl Physiol (1985). 1996 Jul;81(1):232-7. [PubMed:8828669 ]
  23. Dangott B, Schultz E, Mozdziak PE: Dietary creatine monohydrate supplementation increases satellite cell mitotic activity during compensatory hypertrophy. Int J Sports Med. 2000 Jan;21(1):13-6. [PubMed:10683092 ]
  24. Hespel P, Op't Eijnde B, Van Leemputte M, Urso B, Greenhaff PL, Labarque V, Dymarkowski S, Van Hecke P, Richter EA: Oral creatine supplementation facilitates the rehabilitation of disuse atrophy and alters the expression of muscle myogenic factors in humans. J Physiol. 2001 Oct 15;536(Pt 2):625-33. [PubMed:11600695 ]
  25. Juhn M: Popular sports supplements and ergogenic aids. Sports Med. 2003;33(12):921-39. [PubMed:12974658 ]
  26. 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 ]
  27. Bird SP: Creatine supplementation and exercise performance: a brief review. J Sports Sci Med. 2003 Dec 1;2(4):123-32. eCollection 2003 Dec. [PubMed:24688272 ]
  28. Engelhardt M, Neumann G, Berbalk A, Reuter I: Creatine supplementation in endurance sports. Med Sci Sports Exerc. 1998 Jul;30(7):1123-9. doi: 10.1097/00005768-199807000-00016. [PubMed:9662683 ]

Enzymes

Enzyme Details
1. Guanidinoacetate N-methyltransferase
General function:
Involved in guanidinoacetate N-methyltransferase activity
Specific function:
Not Available
Gene Name:
GAMT
Uniprot ID:
Q14353
Molecular weight:
26317.925
Reactions
S-Adenosylmethionine + Guanidoacetic acid → S-Adenosylhomocysteine + Creatinedetails
References
  1. Almeida LS, Vilarinho L, Darmin PS, Rosenberg EH, Martinez-Munoz C, Jakobs C, Salomons GS: A prevalent pathogenic GAMT mutation (c.59G>C) in Portugal. Mol Genet Metab. 2007 May;91(1):1-6. Epub 2007 Mar 1. [PubMed:17336114 ]
  2. Kan HE, Meeuwissen E, van Asten JJ, Veltien A, Isbrandt D, Heerschap A: Creatine uptake in brain and skeletal muscle of mice lacking guanidinoacetate methyltransferase assessed by magnetic resonance spectroscopy. J Appl Physiol (1985). 2007 Jun;102(6):2121-7. Epub 2007 Mar 8. [PubMed:17347380 ]
  3. Wang L, Zhang Y, Shao M, Zhang H: Spatiotemporal expression of the creatine metabolism related genes agat, gamt and ct1 during zebrafish embryogenesis. Int J Dev Biol. 2007;51(3):247-53. [PubMed:17486546 ]
Enzyme Details
2. Glycine amidinotransferase, mitochondrial
General function:
Amino acid transport and metabolism
Specific function:
Catalyzes the biosynthesis of guanidinoacetate, the immediate precursor of creatine. Creatine plays a vital role in energy metabolism in muscle tissues. May play a role in embryonic and central nervous system development. May be involved in the response to heart failure by elevating local creatine synthesis.
Gene Name:
GATM
Uniprot ID:
P50440
Molecular weight:
48455.01
Enzyme Details
3. Creatine kinase S-type, mitochondrial
General function:
Involved in kinase activity
Specific function:
Reversibly catalyzes the transfer of phosphate between ATP and various phosphogens (e.g. creatine phosphate). Creatine kinase isoenzymes play a central role in energy transduction in tissues with large, fluctuating energy demands, such as skeletal muscle, heart, brain and spermatozoa.
Gene Name:
CKMT2
Uniprot ID:
P17540
Molecular weight:
47504.08
Reactions
Adenosine triphosphate + Creatine → ADP + Phosphocreatinedetails
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. Koufen P, Ruck A, Brdiczka D, Wendt S, Wallimann T, Stark G: Free radical-induced inactivation of creatine kinase: influence on the octameric and dimeric states of the mitochondrial enzyme (Mib-CK). Biochem J. 1999 Dec 1;344 Pt 2:413-7. [PubMed:10567223 ]
  4. Wyss M, James P, Schlegel J, Wallimann T: Limited proteolysis of creatine kinase. Implications for three-dimensional structure and for conformational substrates. Biochemistry. 1993 Oct 12;32(40):10727-35. [PubMed:8399219 ]
  5. Stachowiak O, Dolder M, Wallimann T, Richter C: Mitochondrial creatine kinase is a prime target of peroxynitrite-induced modification and inactivation. J Biol Chem. 1998 Jul 3;273(27):16694-9. [PubMed:9642223 ]
  6. Wallimann T, Wyss M, Brdiczka D, Nicolay K, Eppenberger HM: Intracellular compartmentation, structure and function of creatine kinase isoenzymes in tissues with high and fluctuating energy demands: the 'phosphocreatine circuit' for cellular energy homeostasis. Biochem J. 1992 Jan 1;281 ( Pt 1):21-40. [PubMed:1731757 ]
Enzyme Details
4. Creatine kinase B-type
General function:
Involved in kinase activity
Specific function:
Reversibly catalyzes the transfer of phosphate between ATP and various phosphogens (e.g. creatine phosphate). Creatine kinase isoenzymes play a central role in energy transduction in tissues with large, fluctuating energy demands, such as skeletal muscle, heart, brain and spermatozoa.
Gene Name:
CKB
Uniprot ID:
P12277
Molecular weight:
42643.95
Reactions
Adenosine triphosphate + Creatine → ADP + Phosphocreatinedetails
References
  1. Tian XF, Zhang XS, Li YH, Wang ZZ, Zhang F, Wang LM, Yao JH: Proteasome inhibition attenuates lung injury induced by intestinal ischemia reperfusion in rats. Life Sci. 2006 Oct 26;79(22):2069-76. Epub 2006 Jun 23. [PubMed:16875703 ]
  2. Debrincat MA, Zhang JG, Willson TA, Silke J, Connolly LM, Simpson RJ, Alexander WS, Nicola NA, Kile BT, Hilton DJ: Ankyrin repeat and suppressors of cytokine signaling box protein asb-9 targets creatine kinase B for degradation. J Biol Chem. 2007 Feb 16;282(7):4728-37. Epub 2006 Dec 5. [PubMed:17148442 ]
  3. Burklen TS, Hirschy A, Wallimann T: Brain-type creatine kinase BB-CK interacts with the Golgi Matrix Protein GM130 in early prophase. Mol Cell Biochem. 2007 Mar;297(1-2):53-64. Epub 2006 Oct 12. [PubMed:17036164 ]
  4. Wallimann T, Wyss M, Brdiczka D, Nicolay K, Eppenberger HM: Intracellular compartmentation, structure and function of creatine kinase isoenzymes in tissues with high and fluctuating energy demands: the 'phosphocreatine circuit' for cellular energy homeostasis. Biochem J. 1992 Jan 1;281 ( Pt 1):21-40. [PubMed:1731757 ]
Enzyme Details
5. Creatine kinase U-type, mitochondrial
General function:
Involved in kinase activity
Specific function:
Reversibly catalyzes the transfer of phosphate between ATP and various phosphogens (e.g. creatine phosphate). Creatine kinase isoenzymes play a central role in energy transduction in tissues with large, fluctuating energy demands, such as skeletal muscle, heart, brain and spermatozoa.
Gene Name:
CKMT1A
Uniprot ID:
P12532
Molecular weight:
47036.3
Reactions
Adenosine triphosphate + Creatine → ADP + Phosphocreatinedetails
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. Slenzka K, Appel R, Kappel Th, Rahmann H: Influence of altered gravity on brain cellular energy and plasma membrane metabolism of developing lower aquatic vertebrates. Adv Space Res. 1996;17(6-7):125-8. [PubMed:11538605 ]
  4. Wyss M, Schlegel J, James P, Eppenberger HM, Wallimann T: Mitochondrial creatine kinase from chicken brain. Purification, biophysical characterization, and generation of heterodimeric and heterooctameric molecules with subunits of other creatine kinase isoenzymes. J Biol Chem. 1990 Sep 15;265(26):15900-8. [PubMed:2394753 ]
  5. Muhlebach SM, Wirz T, Brandle U, Perriard JC: Evolution of the creative kinases. The chicken acidic type mitochondrial creatine kinase gene as the first nonmammalian gene. J Biol Chem. 1996 May 17;271(20):11920-9. [PubMed:8662608 ]
  6. Wallimann T, Wyss M, Brdiczka D, Nicolay K, Eppenberger HM: Intracellular compartmentation, structure and function of creatine kinase isoenzymes in tissues with high and fluctuating energy demands: the 'phosphocreatine circuit' for cellular energy homeostasis. Biochem J. 1992 Jan 1;281 ( Pt 1):21-40. [PubMed:1731757 ]
Enzyme Details
6. Creatine kinase M-type
General function:
Involved in kinase activity
Specific function:
Reversibly catalyzes the transfer of phosphate between ATP and various phosphogens (e.g. creatine phosphate). Creatine kinase isoenzymes play a central role in energy transduction in tissues with large, fluctuating energy demands, such as skeletal muscle, heart, brain and spermatozoa.
Gene Name:
CKM
Uniprot ID:
P06732
Molecular weight:
43100.91
Reactions
Adenosine triphosphate + Creatine → ADP + Phosphocreatinedetails
References
  1. Zeng L, Hu Q, Wang X, Mansoor A, Lee J, Feygin J, Zhang G, Suntharalingam P, Boozer S, Mhashilkar A, Panetta CJ, Swingen C, Deans R, From AH, Bache RJ, Verfaillie CM, Zhang J: Bioenergetic and functional consequences of bone marrow-derived multipotent progenitor cell transplantation in hearts with postinfarction left ventricular remodeling. Circulation. 2007 Apr 10;115(14):1866-75. Epub 2007 Mar 26. [PubMed:17389266 ]
  2. Zhou DQ, Hu Y, Liu G, Gong L, Xi Y, Wen L: Muscle-specific creatine kinase gene polymorphism and running economy responses to an 18-week 5000-m training programme. Br J Sports Med. 2006 Dec;40(12):988-91. Epub 2006 Sep 25. [PubMed:17000714 ]
  3. Wallimann T, Wyss M, Brdiczka D, Nicolay K, Eppenberger HM: Intracellular compartmentation, structure and function of creatine kinase isoenzymes in tissues with high and fluctuating energy demands: the 'phosphocreatine circuit' for cellular energy homeostasis. Biochem J. 1992 Jan 1;281 ( Pt 1):21-40. [PubMed:1731757 ]
Enzyme Details
7. Sodium- and chloride-dependent creatine transporter 1
General function:
Involved in neurotransmitter:sodium symporter activity
Specific function:
Required for the uptake of creatine in muscles and brain.
Gene Name:
SLC6A8
Uniprot ID:
P48029
Molecular weight:
69483.91
References
  1. Rosenberg EH, Munoz CM, Degrauw TJ, Jakobs Cn, Salomons GS: Overexpression of wild-type creatine transporter (SLC6A8) restores creatine uptake in primary SLC6A8-deficient fibroblasts. J Inherit Metab Dis. 2006 Apr-Jun;29(2-3):345-6. [PubMed:16763899 ]
  2. Derave W, Straumann N, Olek RA, Hespel P: Electrolysis stimulates creatine transport and transporter cell surface expression in incubated mouse skeletal muscle: potential role of ROS. Am J Physiol Endocrinol Metab. 2006 Dec;291(6):E1250-7. Epub 2006 Jul 18. [PubMed:16849631 ]
  3. Lunardi G, Parodi A, Perasso L, Pohvozcheva AV, Scarrone S, Adriano E, Florio T, Gandolfo C, Cupello A, Burov SV, Balestrino M: The creatine transporter mediates the uptake of creatine by brain tissue, but not the uptake of two creatine-derived compounds. Neuroscience. 2006 Nov 3;142(4):991-7. Epub 2006 Sep 1. [PubMed:16949212 ]
  4. Campistol J, Arias-Dimas A, Poo P, Pineda M, Hoffman M, Vilaseca MA, Artuch R, Ribes A: [Cerebral creatine transporter deficiency: an infradiagnosed neurometabolic disease]. Rev Neurol. 2007 Mar 16-31;44(6):343-7. [PubMed:17385170 ]
  5. Wang L, Zhang Y, Shao M, Zhang H: Spatiotemporal expression of the creatine metabolism related genes agat, gamt and ct1 during zebrafish embryogenesis. Int J Dev Biol. 2007;51(3):247-53. [PubMed:17486546 ]
Enzyme Details
8. Paired mesoderm homeobox protein 1
General function:
Involved in DNA binding
Specific function:
Acts as a transcriptional regulator of muscle creatine kinase (MCK) and so has a role in the establishment of diverse mesodermal muscle types. The protein binds to an A/T-rich element in the muscle creatine enhancer
Gene Name:
PRRX1
Uniprot ID:
P54821
Molecular weight:
27296.2
Enzyme Details
9. DNA-binding protein inhibitor ID-3
General function:
Involved in transcription regulator activity
Specific function:
ID (inhibitor of DNA binding) HLH proteins lack a basic DNA-binding domain but are able to form heterodimers with other HLH proteins, thereby inhibiting DNA binding. ID-3 inhibits the binding of E2A-containing protein complexes to muscle creatine kinase E-box enhancer. May inhibit other transcription factors
Gene Name:
ID3
Uniprot ID:
Q02535
Molecular weight:
12968.8

Transporters

Enzyme Details
1. Solute carrier family 22 member 5
General function:
Involved in ion transmembrane transporter activity
Specific function:
Sodium-ion dependent, high affinity carnitine transporter. Involved in the active cellular uptake of carnitine. Transports one sodium ion with one molecule of carnitine. Also transports organic cations such as tetraethylammonium (TEA) without the involvement of sodium. Also relative uptake activity ratio of carnitine to TEA is 11.3
Gene Name:
SLC22A5
Uniprot ID:
O76082
Molecular weight:
62751.1
References
  1. Ohashi R, Tamai I, Yabuuchi H, Nezu JI, Oku A, Sai Y, Shimane M, Tsuji A: Na(+)-dependent carnitine transport by organic cation transporter (OCTN2): its pharmacological and toxicological relevance. J Pharmacol Exp Ther. 1999 Nov;291(2):778-84. [PubMed:10525100 ]