Details of Metabolite

General Information of MET (ID: META00639)
Name Beta-Citryl-L-glutamic acid
Synonyms   Click to Show/Hide Synonyms of This Metabolite
2-{[3-carboxy-2-(carboxymethyl)-1,2-dihydroxypropylidene]amino}pentanedioate; 3-(((1,3-Dicarboxypropyl)amino)carbonyl)-3-hydroxy-pentanedioate; 3-(((1,3-Dicarboxypropyl)amino)carbonyl)-3-hydroxy-pentanedioic acid; b-Citryl-L-glutamate; b-Citryl-L-glutamic acid; beta-Citrylglutamic acid
Source Food
Structure Type   Amino acids, peptides, and analogues  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic acids and derivatives
Carboxylic acids and derivatives
Amino acids, peptides, and analogues
PubChem CID
21125622
HMDB ID
HMDB0013220
Formula
C11H15NO10
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
FooDB ID
FDB029339
ChemSpider ID
19992713
Physicochemical Properties Molecular Weight 321.24 Topological Polar Surface Area 199
XlogP -2.8 Complexity 469
Heavy Atom Count 22 Rotatable Bond Count 10
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 10
Function
beta-Citryl-L-glutamic acid (beta-CG) is a derivative of glutamic acid. beta-CG which is known to occur in the brain, have been isolated from human urine.
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Hydrolases (EC 3)
            GTPase KRas (KRAS) Click to Show/Hide the Full List of Regulating Pair(s):   1 Pair(s)
               Detailed Information Protein   Info click to show the details of this protein
               Regulating Pair Experim Info click to show the details of experiment for validating this pair [1]
                      Introduced Variation Overexpression of KRAS
                      Induced Change Beta-Citryl-L-glutamic acid concentration: decrease (FC = 0.40)
                      Summary Introduced Variation         Induced Change 
                      Disease Status Lung cancer [ICD-11: 2C25]
                      Details It is reported that overexpression of KRAS leads to the decrease of beta-Citryl-L-glutamic acid levels compared with control group.
References
1 Capturing the metabolomic diversity of KRAS mutants in non-small-cell lung cancer cells. Oncotarget. 2014 Jul 15;5(13):4722-31.

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