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Showing metabocard for Pyruvic acid (HMDB0000243)

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IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (53)transporters (6) Show 59 proteinsXML
enzymes (53)transporters (6) Show 59 proteins
Record Information
Version5.0
StatusDetected and Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2023-05-30 20:56:02 UTC
HMDB IDHMDB0000243
Secondary Accession Numbers
  • HMDB00243
Metabolite Identification
Common NamePyruvic acid
DescriptionPyruvic acid or pyruvate is a simple alpha-keto acid. It is a three-carbon molecule containing a carboxylic acid group and a ketone functional group. Pyruvate is the simplest alpha-keto acid and according to official nomenclature by IUPAC, it is called alpha-keto propanoic acid. Like other keto acids, pyruvic acid can tautomerize from its ketone form to its enol form, containing a double bond and an alcohol. Pyruvate is found in all living organisms ranging from bacteria to plants to humans. It is intermediate compound in the metabolism of carbohydrates, proteins, and fats. Pyruvate is a key intermediate in several metabolic pathways throughout the cell. In particular, pyruvic acid can be made from glucose through glycolysis, converted back to carbohydrates (such as glucose) via gluconeogenesis, or to fatty acids through a reaction with acetyl-CoA. Pyruvic acid supplies energy to cells through the citric acid cycle (TCA or Krebs cycle) when oxygen is present (aerobic respiration), and alternatively ferments to produce lactate when oxygen is lacking (lactic acid). In glycolysis, phosphoenolpyruvate (PEP) is converted to pyruvate by pyruvate kinase. This reaction is strongly exergonic and irreversible. In gluconeogenesis, it takes two enzymes, pyruvate carboxylase and PEP carboxykinase, to catalyze the reverse transformation of pyruvate to PEP. Pyruvic acid is also a metabolite of Corynebacterium (PMID: 27872963 ).
Structure
Data?1676999678
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0000243 (Pyruvic acid)


  Mrv1652309032023582D          

  6  5  0  0  0  0            999 V2000
    2.0928    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2361   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
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3D MOL for HMDB0000243 (Pyruvic acid)

HMDB0000243
     RDKit          3D
Pyruvic acid
 10  9  0  0  0  0  0  0  0  0999 V2000
   -1.4948   -0.0189    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0968    0.4780   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0926    1.6951    0.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9950   -0.4146   -0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840   -1.6555   -0.5104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2428    0.1557   -0.5276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8284    0.2737    1.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2043    0.4053   -0.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4394   -1.1250    0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8494    0.2062    0.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  6 10  1  0
M  END
Download

3D SDF for HMDB0000243 (Pyruvic acid)


  Mrv1652309032023582D          

  6  5  0  0  0  0            999 V2000
    2.0928    0.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072   -1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5217    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2361   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8072   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  4  2  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0000243

> <DATABASE_NAME>
hmdb

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

> <INCHI_IDENTIFIER>
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)

> <INCHI_KEY>
LCTONWCANYUPML-UHFFFAOYSA-N

> <FORMULA>
C3H4O3

> <MOLECULAR_WEIGHT>
88.0621

> <EXACT_MASS>
88.016043994

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
7.310505872988212

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-oxopropanoic acid

> <ALOGPS_LOGP>
-0.38

> <JCHEM_LOGP>
0.06587395333333337

> <ALOGPS_LOGS>
0.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.93012330309767

> <JCHEM_PKA_STRONGEST_BASIC>
-9.583170381128017

> <JCHEM_POLAR_SURFACE_AREA>
54.37

> <JCHEM_REFRACTIVITY>
17.9897

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.34e+02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
pyruvic acid

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for HMDB0000243 (Pyruvic acid)

HMDB0000243
     RDKit          3D
Pyruvic acid
 10  9  0  0  0  0  0  0  0  0999 V2000
   -1.4948   -0.0189    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0968    0.4780   -0.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0926    1.6951    0.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9950   -0.4146   -0.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8840   -1.6555   -0.5104 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2428    0.1557   -0.5276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8284    0.2737    1.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2043    0.4053   -0.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4394   -1.1250    0.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8494    0.2062    0.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  6 10  1  0
M  END
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PDB for HMDB0000243 (Pyruvic acid)

HEADER    PROTEIN                                 03-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-20         0                                  
HETATM    1  O   UNK     0       3.907   0.385   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       6.574   1.925   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       5.240  -1.925   0.000  0.00  0.00           O+0
HETATM    4  C   UNK     0       6.574   0.385   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.907  -0.385   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.240  -0.385   0.000  0.00  0.00           C+0
CONECT    1    6                                                            
CONECT    2    4                                                            
CONECT    3    6                                                            
CONECT    4    2    5    6                                                  
CONECT    5    4                                                            
CONECT    6    1    3    4                                                  
MASTER        0    0    0    0    0    0    0    0    6    0   10    0
END
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3D PDB for HMDB0000243 (Pyruvic acid)

COMPND    HMDB0000243
HETATM    1  C1  UNL     1      -1.495  -0.019   0.188  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.097   0.478  -0.019  1.00  0.00           C  
HETATM    3  O1  UNL     1       0.093   1.695   0.112  1.00  0.00           O  
HETATM    4  C3  UNL     1       0.995  -0.415  -0.360  1.00  0.00           C  
HETATM    5  O2  UNL     1       0.884  -1.655  -0.510  1.00  0.00           O  
HETATM    6  O3  UNL     1       2.243   0.156  -0.528  1.00  0.00           O  
HETATM    7  H1  UNL     1      -1.828   0.274   1.203  1.00  0.00           H  
HETATM    8  H2  UNL     1      -2.204   0.405  -0.535  1.00  0.00           H  
HETATM    9  H3  UNL     1      -1.439  -1.125   0.160  1.00  0.00           H  
HETATM   10  H4  UNL     1       2.849   0.206   0.288  1.00  0.00           H  
CONECT    1    2    7    8    9
CONECT    2    3    3    4
CONECT    4    5    5    6
CONECT    6   10
END
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SMILES for HMDB0000243 (Pyruvic acid)

CC(=O)C(O)=O
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INCHI for HMDB0000243 (Pyruvic acid)

InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
ValueSource
2-Ketopropionic acidChEBI
2-Oxopropanoic acidChEBI
2-OxopropansaeureChEBI
2-OxopropionsaeureChEBI
Acetylformic acidChEBI
Acide pyruviqueChEBI
alpha-Ketopropionic acidChEBI
alpha-OxopropionsaeureChEBI
BrenztraubensaeureChEBI
BTSChEBI
CH3COCOOHChEBI
Pyroracemic acidChEBI
2-OxopropanoateKegg
2-KetopropionateGenerator
AcetylformateGenerator
a-KetopropionateGenerator
a-Ketopropionic acidGenerator
alpha-KetopropionateGenerator
Α-ketopropionateGenerator
Α-ketopropionic acidGenerator
a-OxopropionsaeureGenerator
Α-oxopropionsaeureGenerator
PyroracemateGenerator
PyruvateGenerator
2-OxopropionateHMDB
2-Oxopropionic acidHMDB
Acid, pyruvicMeSH, HMDB
Pyruvic acidHMDB
alpha-Ketopropanoic acidHMDB
α-Ketopropanoic acidHMDB
Chemical FormulaC3H4O3
Average Molecular Weight88.0621
Monoisotopic Molecular Weight88.016043994
IUPAC Name2-oxopropanoic acid
Traditional Namepyruvic acid
CAS Registry Number127-17-3
SMILES
CC(=O)C(O)=O
InChI Identifier
InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChI KeyLCTONWCANYUPML-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alpha-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassKeto acids and derivatives
Sub ClassAlpha-keto acids and derivatives
Direct ParentAlpha-keto acids and derivatives
Alternative Parents
Substituents
  • Alpha-keto acid
  • Alpha-hydroxy ketone
  • Ketone
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effect
Health effectOrganoleptic effect
Disposition
Biological locationSource
Process
Naturally occurring process
Role
Biological roleIndustrial application
Physical Properties
StateLiquid
Experimental Molecular Properties
PropertyValueReference
Melting Point13.8 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1000 mg/mLNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility134 g/LALOGPS
logP-0.38ALOGPS
logP0.066ChemAxon
logS0.18ALOGPS
pKa (Strongest Acidic)2.93ChemAxon
pKa (Strongest Basic)-9.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area54.37 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity17.99 m³·mol⁻¹ChemAxon
Polarizability7.31 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]+115.65231661259
DarkChem[M+H]+115.65231661259
DarkChem[M-H]-109.12831661259
DarkChem[M-H]-109.12831661259
AllCCS[M+H]+124.29632859911
AllCCS[M-H]-122.37832859911
DeepCCS[M+H]+122.34730932474
DeepCCS[M-H]-119.54930932474
DeepCCS[M-2H]-155.93230932474
DeepCCS[M+Na]+130.50830932474
AllCCS[M+H]+124.332859911
AllCCS[M+H-H2O]+119.932859911
AllCCS[M+NH4]+128.432859911
AllCCS[M+Na]+129.632859911
AllCCS[M-H]-122.432859911
AllCCS[M+Na-2H]-127.032859911
AllCCS[M+HCOO]-132.132859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Pyruvic acidCC(=O)C(O)=O1553.2Standard polar33892256
Pyruvic acidCC(=O)C(O)=O1190.4Standard non polar33892256
Pyruvic acidCC(=O)C(O)=O771.4Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Pyruvic acid,1TMS,isomer #1CC(=O)C(=O)O[Si](C)(C)C908.8Semi standard non polar33892256
Pyruvic acid,1TMS,isomer #2C=C(O[Si](C)(C)C)C(=O)O974.2Semi standard non polar33892256
Pyruvic acid,2TMS,isomer #1C=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1125.2Semi standard non polar33892256
Pyruvic acid,2TMS,isomer #1C=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1108.6Standard non polar33892256
Pyruvic acid,2TMS,isomer #1C=C(O[Si](C)(C)C)C(=O)O[Si](C)(C)C1135.6Standard polar33892256
Pyruvic acid,1TBDMS,isomer #1CC(=O)C(=O)O[Si](C)(C)C(C)(C)C1145.3Semi standard non polar33892256
Pyruvic acid,1TBDMS,isomer #2C=C(O[Si](C)(C)C(C)(C)C)C(=O)O1219.7Semi standard non polar33892256
Pyruvic acid,2TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C1562.4Semi standard non polar33892256
Pyruvic acid,2TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C1511.8Standard non polar33892256
Pyruvic acid,2TBDMS,isomer #1C=C(O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C1467.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental GC-MSGC-MS Spectrum - Pyruvic acid GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized)splash10-00dr-4900000000-f26ef76666e40ab9fe612014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Pyruvic acid GC-MS (1 MEOX; 1 TMS)splash10-00di-5900000000-b8e81f82572d4796e9442014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Pyruvic acid GC-MS (2 TMS)splash10-014i-5970000000-154bf9ad168a12593fcc2014-06-16HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Pyruvic acid EI-B (Non-derivatized)splash10-0006-9000000000-a2cf85a5e1d2379d26df2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Pyruvic acid GC-EI-TOF (Non-derivatized)splash10-00dr-4900000000-f26ef76666e40ab9fe612017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Pyruvic acid GC-MS (Non-derivatized)splash10-00di-5900000000-b8e81f82572d4796e9442017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Pyruvic acid GC-MS (Non-derivatized)splash10-014i-5970000000-154bf9ad168a12593fcc2017-09-12HMDB team, MONA, MassBankView Spectrum
Experimental GC-MSGC-MS Spectrum - Pyruvic acid GC-EI-TOF (Non-derivatized)splash10-00dr-5900000000-5b1f470d4ff91420618c2017-09-12HMDB team, MONA, MassBankView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pyruvic acid GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-9000000000-5417b44aa241a7ba27e82016-09-22Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pyruvic acid GC-MS (1 TMS) - 70eV, Positivesplash10-00dm-9400000000-6db65a709bdc47e3adf72017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pyruvic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pyruvic acid GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pyruvic acid GC-MS (TMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pyruvic acid GC-MS (TBDMS_1_1) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Pyruvic acid GC-MS (TBDMS_1_2) - 70eV, PositiveNot Available2021-11-05Wishart LabView Spectrum
MSMass Spectrum (Electron Ionization)splash10-0006-9000000000-f315d0752893e7d0c6572014-09-20Not AvailableView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid EI-B (HITACHI M-80B) , Positive-QTOFsplash10-0006-9000000000-a2cf85a5e1d2379d26df2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid LC-ESI-QQ (API3000, Applied Biosystems) 10V, Negative-QTOFsplash10-000i-9000000000-dd49835da8355fb6e6252012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid LC-ESI-QQ (API3000, Applied Biosystems) 20V, Negative-QTOFsplash10-000i-9000000000-f09d8e3d7a774b255d892012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid LC-ESI-QQ (API3000, Applied Biosystems) 30V, Negative-QTOFsplash10-0006-9000000000-7d91f6f626cab1a366fd2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid LC-ESI-QQ (API3000, Applied Biosystems) 40V, Negative-QTOFsplash10-0006-9000000000-8ae98cdb3e142034e52a2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid LC-ESI-QQ (API3000, Applied Biosystems) 50V, Negative-QTOFsplash10-0006-9000000000-e04e6c68013983e1b6dc2012-08-31HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid LC-ESI-QQ , negative-QTOFsplash10-000i-9000000000-dd49835da8355fb6e6252017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid LC-ESI-QQ , negative-QTOFsplash10-000i-9000000000-f09d8e3d7a774b255d892017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid LC-ESI-QQ , negative-QTOFsplash10-0006-9000000000-7d91f6f626cab1a366fd2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid LC-ESI-QQ , negative-QTOFsplash10-0006-9000000000-8ae98cdb3e142034e52a2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid LC-ESI-QQ , negative-QTOFsplash10-0006-9000000000-e04e6c68013983e1b6dc2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid 10V, Negative-QTOFsplash10-000f-9000000000-f24c93ecfd39288271542021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid 40V, Negative-QTOFsplash10-0udj-9000000000-fc3b9ad0c57f44261fba2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid 20V, Negative-QTOFsplash10-014i-9000000000-f3444f8b94ee5a0a9f742021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid 33V, Negative-QTOFsplash10-0avr-9000000000-dc40a6a1b9b166d6e68a2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Pyruvic acid 33V, Negative-QTOFsplash10-016r-9000000000-efac7b176bb77118ecb82021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyruvic acid 10V, Positive-QTOFsplash10-000i-9000000000-d0defa72b09503c6d6d12016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyruvic acid 20V, Positive-QTOFsplash10-000f-9000000000-c25fa150e9c490319a2a2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyruvic acid 40V, Positive-QTOFsplash10-0006-9000000000-ccb42b4c05ddd001990f2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyruvic acid 10V, Negative-QTOFsplash10-000i-9000000000-faf36ff70d62053702702016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyruvic acid 20V, Negative-QTOFsplash10-000i-9000000000-60c1a02aabf80f51050f2016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyruvic acid 40V, Negative-QTOFsplash10-000f-9000000000-ca5f4a2f06787d8b62a02016-09-12Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyruvic acid 10V, Positive-QTOFsplash10-0006-9000000000-0eb1fb2cdd24bdc786012021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyruvic acid 20V, Positive-QTOFsplash10-0006-9000000000-87bbaed151efac0845912021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Pyruvic acid 40V, Positive-QTOFsplash10-0006-9000000000-87bbaed151efac0845912021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Experimental 1D NMR1H NMR Spectrum (1D, 500 MHz, H2O, experimental)2012-12-04Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 100 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, 1000 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, 200 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, 300 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, 400 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, 500 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, 600 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, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Experimental 2D NMR[1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental)2012-12-05Wishart 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
  • Peroxisome
Biospecimen Locations
  • Blood
  • Breast Milk
  • Cellular Cytoplasm
  • Cerebrospinal Fluid (CSF)
  • Feces
  • Saliva
  • Sweat
  • Urine
Tissue Locations
  • Adipose Tissue
  • Brain
  • Fibroblasts
  • Heart
  • Kidney
  • Liver
  • Neuron
  • Pancreas
  • Placenta
  • Skeletal Muscle
  • Spleen
  • Testis
  • Thyroid Gland
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified34.5 +/- 25.2 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified<150 uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified<200 uMInfant (0-1 year old)Not SpecifiedNormal details
BloodDetected and Quantified64 (22-258) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified100 (50-190) uMNot SpecifiedNot Specified
Normal		 details
BloodDetected and Quantified56.778 uMInfant (0-1 year old)Not SpecifiedNormal details
BloodDetected and Quantified81.0 +/- 34.0 uMNewborn (0-30 days old)BothNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified76.0 +/- 10.0 uMChildren (1-13 years old)BothNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified63.0 +/- 25.0 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
BloodDetected and Quantified40-100 uMNot SpecifiedNot SpecifiedNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)BothNormal details
BloodDetected and Quantified75.5 (10.0-141.0) uMNewborn (0-30 days old)Not SpecifiedNormal details
BloodDetected and Quantified50-140 uMNot SpecifiedNot SpecifiedNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
BloodDetected and Quantified40-70 uMInfant (0-1 year old)Both
Normal		 details
BloodDetected and Quantified<200 uMChildren (1-13 years old)Not SpecifiedNormal details
BloodDetected and Quantified22.00-258.0 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified64 (28-145) uMAdult (>18 years old)MaleNormal details
BloodDetected and Quantified64 (29-144) uMAdult (>18 years old)FemaleNormal details
BloodDetected and Quantified67 (27-164) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified64 (29-144) uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified66 (34-117) uMElderly (>65 years old)BothNormal details
BloodDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal		 details
Breast MilkDetected and Quantified5.7 +/- 3.3 uMAdult (>18 years old)Female
Normal		 details
Cellular CytoplasmDetected and Quantified77.0 (27.0-127) uMAdult (>18 years old)BothNormal details
Cellular CytoplasmDetected and Quantified360 (350-370) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified153.0 (121.0-185.0) uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified27 +/- 11 uMChildren (1 - 13 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified30 -130 uMInfant (0-1 year old)MaleNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified53 +/- 42 uMAdult (>18 years old)BothNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified71.0 +/- 31.0 uMAdult (>18 years old)Not SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified50-140 uMNot SpecifiedNot SpecifiedNormal details
Cerebrospinal Fluid (CSF)Detected and Quantified115.0 +/- 17.0 uMAdult (>18 years old)BothNormal
    • Geigy Scientific ...
 details
Cerebrospinal Fluid (CSF)Detected and Quantified136.0 +/- 29.0 uMChildren (1-13 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 and Quantified13361.783 (3633.799-23089.767) nmol/g wet fecesInfant (0-1 year old)Not Specified
Normal		 details
FecesDetected and Quantified27783.424 (17336.251-38230.597) nmol/g wet fecesInfant (0-1 year old)Not Specified
Normal		 details
FecesDetected and Quantified62607.334 (33271.975-91942.693) nmol/g wet fecesInfant (0-1 year old)Not Specified
Normal		 details
FecesDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Both
Normal