ChemSpider 2D Image | alpha-Ketoglutaric acid | C5H6O5

α-Ketoglutaric acid

Molecular FormulaC₅H₆O₅
Average mass146.098 Da
Monoisotopic mass146.021530 Da
ChemSpider ID50

More details:

Systematic name
2-Oxopentanedioic acid
SMILES
C(CC(=O)O)C(=O)C(=O)O Copied
Std. InChi
InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10) Copied
Std. InChIKey
KPGXRSRHYNQIFN-UHFFFAOYSA-N Copied
Cite this record
CSID:50, http://www.chemspider.com/Chemical-Structure.50.html (accessed 11:27, Jan 28, 2021) Copied

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Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

206-330-3 [EINECS]

2-Ketoglutaric acid

2-Oxo-1,5-pentanedioic acid

2-Oxoglutaric Acid

2-Oxo-Glutaric Acid

2-Oxopentandisäure [German] [ACD/IUPAC Name]

2-Oxopentanedioic acid [ACD/IUPAC Name]

2-oxopentanedionic acid

328-50-7 [RN]

378-50-7 [RN]

More...

Acide 2-oxopentanedioïque [French] [ACD/IUPAC Name]

Alphaketoglutaric acid

Glutaric acid, 2-oxo-

ketoglutaric acid

MFCD00004165 [MDL number]

OXOGLURIC ACID

OXOGLUTARIC ACID

Pentanedioic acid, 2-oxo- [ACD/Index Name]

α-keto-Glutaric acid

α-Ketoglutaric acid [Wiki]

α-Ketoglutaric acid

α-Oxoglutaric acid

α-Oxopentanedioic acid

&α;-ketoglutarate

&α;-ketoglutaric acid

1173021-86-7 [RN]

15303-07-8 [RN]

17091-15-5 [RN]

2-ketoglutaric acid

27175-99-1 [RN]

2-Ketoglutaric acid monopotassium salt

2-ketoglutaricacid

2-KETOPENTANEDIOIC ACID-D6

2OG

2-Oxo-pentanedioic acid

2-Oxopentanedioic acid|α-Ketoglutaric acid

2-Oxopentanedioicacid

2-OXYGLUTARIC ACID

305-72-6 [RN]

34410-46-3 [RN]

4-ketopent-2-ynedioic acid

4-oxopent-2-ynedioic acid

652-03-9 [RN]

997-43-3 [RN]

a-Ketoglutaric acid

AKG

ethyl 6,8-dimethyl-4-oxo-1H-quinoline-3-carboxylate

Glutaric acid, a-oxo-

Glutaric acid, α keto

Glutaric acid, α-keto-

http:////www.amadischem.com/proen/496950/

http://www.hmdb.ca/metabolites/HMDB0000208

https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30915

oxoglurate [INN]

Pentanedioic acid, oxo-

α Ketoglutaric Acid

α-ketoglutaric acid

α-ketoglutaricacid

α-酮戊二酸

Α-酮戊二酸 [Chinese]

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1705689 [Beilstein] [DBID]

4207 [DBID]

8ID597Z82X [DBID]

[328-50-7] [DBID]

17091-15-5, 22202-68-2, 328-50-7, 378-50-7 [DBID]

'328-50-7 [DBID]

AI3-26938 [DBID]

bmse000064 [DBID]

BR-41634 [DBID]

C00026 [DBID]

More...

CCRIS 4693 [DBID]

CHEBI:30915 [DBID]

EINECS 206-330-3 [DBID]

K1128_SIGMA [DBID]

K1750_SIAL [DBID]

K-2400 [DBID]

NCGC00013225 [DBID]

NCGC00090946-01 [DBID]

NChemBio.2007.20-comp12 [DBID]

NChemBio.2007.21-comp7 [DBID]

nchembio816-comp3 [DBID]

nchembio856-comp1 [DBID]

NCI17391 [DBID]

NCI60_001411 [DBID]

NCIStruc1_001710 [DBID]

NCIStruc2_000215 [DBID]

NSC 17391 [DBID]

NSC17391 [DBID]

NSC-17391 [DBID]

STK002174 [DBID]

UNII:8ID597Z82X [DBID]

UNII-8ID597Z82X [DBID]

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Experimental data
Predicted - ACD/Labs
Predicted - EPISuite
Predicted - ChemAxon
Predicted - Mcule

Experimental Physico-chemical Properties

Experimental Melting Point:

116 °C TCI K0005

113-115 °C Indofine [04-1880]

113-117 °C Alfa Aesar

115 °C Jean-Claude Bradley Open Melting Point Dataset 2788

115.5 °C Jean-Claude Bradley Open Melting Point Dataset 22521, 27536

113-117 °C Alfa Aesar A10256

116 °C Biosynth K-2400

113-115 °C LabNetwork LN00174890

113-115 °C Indofine [04-1880] , [04-1880]

115 °C FooDB FDB003361, FDB007242

113-117 °C SynQuest 2129-1-00

113-115 °C Cayman Chemical CM252238

113-115 °C Chemenu CM252238

114-118 °C Sigma-Aldrich SIAL-75890

Experimental Boiling Point:

323 °C Food and Agriculture Organization of the United Nations 2-Oxopentanedioic acid

345.6 °C Cayman Chemical CM252238

345.6 °C Chemenu CM252238

Experimental LogP:

-1.056 LabNetwork LN00174890

Predicted Physico-chemical Properties
- Predicted Melting Point:
  
  116 °C TCI
  
  116 °C TCI K0005

Miscellaneous

Appearance:

Not Available Novochemy [NC-30278]

white to pale yellow crystalline powder Food and Agriculture Organization of the United Nations 2-Oxopentanedioic acid

Safety:

20/21/22 Novochemy [NC-30278]

20/21/36/37/39 Novochemy [NC-30278]

26-37 Alfa Aesar A10256

36/37/38 Alfa Aesar A10256

GHS07; GHS09 Novochemy [NC-30278]

H315-H319-H335 Alfa Aesar A10256

H332; H403 Novochemy [NC-30278]

IRRITANT Matrix Scientific 074886

Irritant/Keep Cold SynQuest 2129-1-00

P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar A10256

P332+P313; P305+P351+P338 Novochemy [NC-30278]

R52/53 Novochemy [NC-30278]

Warning Alfa Aesar A10256

Warning Novochemy [NC-30278]

WARNING: Irritates lungs, eyes, skin Alfa Aesar A10256

An oxo dicarboxylic acid that consists of glutaric acid bearing an oxo substituent at position 2. It is an intermediate metabolite in Krebs cycle. ChEBI CHEBI:30915, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:30915

Compound Source:

(-)-4'-desmethyl-epipodophyllotoxin biosynthesis PlantCyc 2-KETOGLUTARATE

(S)-reticuline biosynthesis I PlantCyc 2-KETOGLUTARATE, 2-KETOGLUTARATE

1,4-dihydroxy-2-naphthoate biosynthesis II (plants) PlantCyc 2-KETOGLUTARATE, 2-KETOGLUTARATE, 2-KETOGLUTARATE, 2-KETOGLUTARATE, 2-KETOGLUTARATE, 2-KETOGLUTARATE

2 an oxidized ferredoxin [iron-sulfur] cluster + 2 L-glutamate <- 2-oxoglutarate + L-glutamine + 2 a reduced ferredoxin [iron-sulfur] cluster + 2 H+ PlantCyc 2-KETOGLUTARATE

2 L-glutamate + NADP+ <- L-glutamine + 2-oxoglutarate + NADPH + H+ PlantCyc 2-KETOGLUTARATE

2-oxoglutarate + L-arginine + oxygen -> succinate + CO2 + guanidinium + (S)-1-pyrroline-5-carboxylate + H2O + H+ PlantCyc 2-KETOGLUTARATE, 2-KETOGLUTARATE

2-oxoglutarate + L-glutamine + 2 a reduced ferredoxin [iron-sulfur] cluster + 2 H+ -> 2 an oxidized ferredoxin [iron-sulfur] cluster + 2 L-glutamate PlantCyc 2-KETOGLUTARATE, 2-KETOGLUTARATE, 2-KETOGLUTARATE

3 2-oxoglutarate + L-arginine + 3 oxygen + 3 H+ -> 2 ethene + 7 CO2 + succinate + guanidinium + (S)-1-pyrroline-5-carboxylate + 3 H2O PlantCyc 2-KETOGLUTARATE, 2-KETOGLUTARATE