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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (2) Show 2 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2013-05-17 01:22:50 UTC

Update Date

2022-03-07 03:17:45 UTC

HMDB ID

HMDB0060466

Secondary Accession Numbers

HMDB60466

Metabolite Identification

Common Name

D-4-Hydroxy-2-oxoglutarate

Description

D-4-Hydroxy-2-oxoglutarate, also known as D-4-hydroxy-2-ketoglutaric acid, belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom. D-4-Hydroxy-2-oxoglutarate is an extremely weak basic (essentially neutral) compound (based on its pKa). D-4-Hydroxy-2-oxoglutarate exists in all living organisms, ranging from bacteria to humans. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HEADER    PROTEIN                                 13-AUG-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   13-AUG-12         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    8  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    9  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   12  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    2    3                                                       
CONECT    2    1    4    6   12                                             
CONECT    3    1    5    7                                                  
CONECT    4    2    8    9                                                  
CONECT    5    3   10   11                                                  
CONECT    6    2                                                            
CONECT    7    3                                                            
CONECT    8    4                                                            
CONECT    9    4                                                            
CONECT   10    5                                                            
CONECT   11    5                                                            
CONECT   12    2                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(R)-2-Hydroxy-4-ketopentanedioic acid	ChEBI
(R)-2-Hydroxy-4-oxopentanedioic acid	ChEBI
D-4-Hydroxy-2-ketoglutaric acid	ChEBI
(R)-2-Hydroxy-4-oxopentanedioate	Kegg
(R)-2-Hydroxy-4-ketopentanedioate	Generator
D-4-Hydroxy-2-ketoglutarate	Generator
D-4-Hydroxy-2-oxoglutaric acid	Generator

Chemical Formula

C₅H₆O₆

Average Molecular Weight

162.0975

Monoisotopic Molecular Weight

162.016437924

IUPAC Name

(2R)-2-hydroxy-4-oxopentanedioic acid

Traditional Name

D-4-hydroxy-2-oxoglutaric acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)/t2-/m1/s1

InChI Key

WXSKVKPSMAHCSG-UWTATZPHSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gamma-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C4 carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Keto acids and derivatives

Sub Class

Gamma-keto acids and derivatives

Direct Parent

Gamma-keto acids and derivatives

Alternative Parents

Substituents

Gamma-keto acid
Short-chain keto acid
Alpha-hydroxy acid
Alpha-keto acid
Beta-hydroxy ketone
Dicarboxylic acid or derivatives
Hydroxy acid
Alpha-hydroxy ketone
Secondary alcohol
Ketone
Carboxylic acid
Carboxylic acid derivative
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
Alcohol
Organic oxide
Organic oxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

4-hydroxy-2-oxoglutaric acid (CHEBI:4083 )

Ontology

Not Available

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	69.8 g/L	ALOGPS
logP	-1.1	ALOGPS
logP	-0.82	ChemAxon
logS	-0.37	ALOGPS
pKa (Strongest Acidic)	2.45	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	111.9 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	30.22 m³·mol⁻¹	ChemAxon
Polarizability	12.94 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	135.598	31661259
DarkChem	[M-H]-	130.938	31661259
DeepCCS	[M+H]+	127.906	30932474
DeepCCS	[M-H]-	125.595	30932474
DeepCCS	[M-2H]-	161.145	30932474
DeepCCS	[M+Na]+	135.604	30932474
AllCCS	[M+H]+	136.0	32859911
AllCCS	[M+H-H2O]+	132.0	32859911
AllCCS	[M+NH4]+	139.6	32859911
AllCCS	[M+Na]+	140.7	32859911
AllCCS	[M-H]-	126.6	32859911
AllCCS	[M+Na-2H]-	128.3	32859911
AllCCS	[M+HCOO]-	130.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
D-4-Hydroxy-2-oxoglutarate	[H][C@@](O)(CC(=O)C(O)=O)C(O)=O	2330.5	Standard polar	33892256
D-4-Hydroxy-2-oxoglutarate	[H][C@@](O)(CC(=O)C(O)=O)C(O)=O	1284.5	Standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate	[H][C@@](O)(CC(=O)C(O)=O)C(O)=O	1484.0	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
D-4-Hydroxy-2-oxoglutarate,1TMS,isomer #1	C[Si](C)(C)O[C@H](CC(=O)C(=O)O)C(=O)O	1489.9	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,1TMS,isomer #2	C[Si](C)(C)OC(=O)C(=O)C[C@@H](O)C(=O)O	1493.0	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,1TMS,isomer #3	C[Si](C)(C)OC(=O)[C@H](O)CC(=O)C(=O)O	1494.5	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,1TMS,isomer #4	C[Si](C)(C)OC(=C[C@@H](O)C(=O)O)C(=O)O	1591.1	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(=O)C[C@@H](O[Si](C)(C)C)C(=O)O	1584.0	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,2TMS,isomer #2	C[Si](C)(C)OC(=O)[C@@H](CC(=O)C(=O)O)O[Si](C)(C)C	1594.7	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,2TMS,isomer #3	C[Si](C)(C)OC(=C[C@@H](O[Si](C)(C)C)C(=O)O)C(=O)O	1693.7	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(=O)C[C@@H](O)C(=O)O[Si](C)(C)C	1574.0	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,2TMS,isomer #5	C[Si](C)(C)OC(=O)C(=C[C@@H](O)C(=O)O)O[Si](C)(C)C	1633.4	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,2TMS,isomer #6	C[Si](C)(C)OC(=O)[C@H](O)C=C(O[Si](C)(C)C)C(=O)O	1666.9	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(=O)C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C	1700.8	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	1713.5	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,3TMS,isomer #3	C[Si](C)(C)OC(=O)[C@@H](C=C(O[Si](C)(C)C)C(=O)O)O[Si](C)(C)C	1768.0	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,3TMS,isomer #4	C[Si](C)(C)OC(=O)C(=C[C@@H](O)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	1674.2	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	1756.7	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	1707.7	Standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C)C(=O)O[Si](C)(C)C)O[Si](C)(C)C	1693.7	Standard polar	33892256
D-4-Hydroxy-2-oxoglutarate,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)O[C@H](CC(=O)C(=O)O)C(=O)O	1748.1	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@@H](O)C(=O)O	1745.9	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)CC(=O)C(=O)O	1771.8	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=C[C@@H](O)C(=O)O)C(=O)O	1842.2	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O	2050.7	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](CC(=O)C(=O)O)O[Si](C)(C)C(C)(C)C	2056.9	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O)C(=O)O	2138.4	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C	2045.8	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O)C(=O)O)O[Si](C)(C)C(C)(C)C	2087.7	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC(=O)[C@H](O)C=C(O[Si](C)(C)C(C)(C)C)C(=O)O	2135.2	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C	2329.9	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	2361.6	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)[C@@H](C=C(O[Si](C)(C)C(C)(C)C)C(=O)O)O[Si](C)(C)C(C)(C)C	2420.6	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2334.6	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2570.1	Semi standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2401.9	Standard non polar	33892256
D-4-Hydroxy-2-oxoglutarate,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(=C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	2243.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - D-4-Hydroxy-2-oxoglutarate GC-MS (Non-derivatized) - 70eV, Positive	splash10-006x-9000000000-2c6c794011a817bacec0	2017-09-20	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-4-Hydroxy-2-oxoglutarate GC-MS (3 TMS) - 70eV, Positive	splash10-044r-8293000000-95ba160f1f36438fedfd	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - D-4-Hydroxy-2-oxoglutarate GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-4-Hydroxy-2-oxoglutarate 10V, Positive-QTOF	splash10-01ot-2900000000-fd2a634c0c83321df9f8	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-4-Hydroxy-2-oxoglutarate 20V, Positive-QTOF	splash10-002b-6900000000-13f2fbc268a7b1bfe885	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-4-Hydroxy-2-oxoglutarate 40V, Positive-QTOF	splash10-05i4-9100000000-ca03fcf215517c709245	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-4-Hydroxy-2-oxoglutarate 10V, Negative-QTOF	splash10-03di-2900000000-7b0bd810c920b58daa79	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-4-Hydroxy-2-oxoglutarate 20V, Negative-QTOF	splash10-00xs-9600000000-6734be382dda3c66592a	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-4-Hydroxy-2-oxoglutarate 40V, Negative-QTOF	splash10-00dm-9000000000-ff1b08ca89e9629f0912	2015-09-15	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-4-Hydroxy-2-oxoglutarate 10V, Positive-QTOF	splash10-00kb-6900000000-661f455fd4b6e8da0c82	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-4-Hydroxy-2-oxoglutarate 20V, Positive-QTOF	splash10-00dm-9100000000-b9bce861b26dd8001332	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-4-Hydroxy-2-oxoglutarate 40V, Positive-QTOF	splash10-0006-9000000000-a0587223ecf12202531f	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-4-Hydroxy-2-oxoglutarate 10V, Negative-QTOF	splash10-014j-5900000000-30fe0301167b3cea2c0b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-4-Hydroxy-2-oxoglutarate 20V, Negative-QTOF	splash10-006t-9000000000-5bbf6f8b15e9a3af889b	2021-10-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - D-4-Hydroxy-2-oxoglutarate 40V, Negative-QTOF	splash10-0006-9000000000-e7768f77ba36e7e3743b	2021-10-12	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

389695

KEGG Compound ID

C05946

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

440853

PDB ID

Not Available

ChEBI ID

4083

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Magrane M: UniProt Knowledgebase: a hub of integrated protein data. Database (Oxford). 2011 Mar 29;2011:bar009. doi: 10.1093/database/bar009. Print 2011. [PubMed:21447597 ]

Enzymes

Enzyme Details

1. Aspartate aminotransferase, cytoplasmic

General function:: Involved in transferase activity, transferring nitrogenous groups
Specific function:: Plays a key role in amino acid metabolism (By similarity).
Gene Name:: GOT1
Uniprot ID:: P17174
Molecular weight:: 46247.14

Reactions

4-Hydroxy-L-glutamic acid + Oxoglutaric acid → D-4-Hydroxy-2-oxoglutarate + L-Glutamic acid	details

Enzyme Details

2. Aspartate aminotransferase, mitochondrial

General function:: Involved in transferase activity, transferring nitrogenous groups
Specific function:: Catalyzes the irreversible transamination of the L-tryptophan metabolite L-kynurenine to form kynurenic acid (KA). Plays a key role in amino acid metabolism. Important for metabolite exchange between mitochondria and cytosol. Facilitates cellular uptake of long-chain free fatty acids.
Gene Name:: GOT2
Uniprot ID:: P00505
Molecular weight:: 47517.285

Reactions

4-Hydroxy-L-glutamic acid + Oxoglutaric acid → D-4-Hydroxy-2-oxoglutarate + L-Glutamic acid	details

Showing metabocard for D-4-Hydroxy-2-oxoglutarate (HMDB0060466)

MOL for HMDB0060466 (D-4-Hydroxy-2-oxoglutarate)

3D MOL for HMDB0060466 (D-4-Hydroxy-2-oxoglutarate)

3D SDF for HMDB0060466 (D-4-Hydroxy-2-oxoglutarate)

3D-SDF for HMDB0060466 (D-4-Hydroxy-2-oxoglutarate)

PDB for HMDB0060466 (D-4-Hydroxy-2-oxoglutarate)

3D PDB for HMDB0060466 (D-4-Hydroxy-2-oxoglutarate)

SMILES for HMDB0060466 (D-4-Hydroxy-2-oxoglutarate)

INCHI for HMDB0060466 (D-4-Hydroxy-2-oxoglutarate)

Structure for HMDB0060466 (D-4-Hydroxy-2-oxoglutarate)

3D Structure for HMDB0060466 (D-4-Hydroxy-2-oxoglutarate)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

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Reactions