Details of Metabolite

General Information of MET (ID: META00197)
Name Isocitrate
Synonyms   Click to Show/Hide Synonyms of This Metabolite
1-Hydroxy-1,2,3-propanetricarboxylate; 1-Hydroxy-1,2,3-propanetricarboxylic acid; 1-Hydroxypropane-1,2,3-tricarboxylate; 1-Hydroxypropane-1,2,3-tricarboxylic acid; 1-Hydroxytricarballylate; 1-Hydroxytricarballylic acid; 3-Carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylate; 3-Carboxy-2,3-dideoxy-1-hydroxypropan-1,2,3-tricarboxylic acid; 3-Carboxy-2,3-dideoxy-pentarate; 3-Carboxy-2,3-dideoxy-pentaric acid; D-Isocitrate; I-cit; Isocitrate; Isocitric acid, (11)C-labeled; Isocitric acid, calcium salt; Isocitric acid, disodium salt; Isocitric acid, potassium salt; Isocitric acid, sodium salt; Isocitric acid, trisodium salt; Threo-D(S)-iso-citrate; Threo-DS-isocitrate
Source Endogenous;Escherichia Coli Metabolite;Yeast Metabolite;Food;TCM Ingredients;Microbial
Structure Type   Tricarboxylic acids and derivatives  (Click to Show/Hide the Complete Structure Type Hierarchy)
Organic acids and derivatives
Carboxylic acids and derivatives
Tricarboxylic acids and derivatives
PubChem CID
1198
HMDB ID
HMDB0000193
Formula
C6H8O7
Structure
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3D MOL 2D MOL
  Click to Show/Hide the Molecular/Functional Data (External Links/Property/Function) of This Metabolite
KEGG ID
C00311
ChEBI ID
30887
FooDB ID
FDB003281
ChemSpider ID
1161
METLIN ID
3328
Physicochemical Properties Molecular Weight 192.12 Topological Polar Surface Area 132
XlogP -1.8 Complexity 233
Heavy Atom Count 13 Rotatable Bond Count 5
Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 7
Function
The citrate oxidation to isocitrate is catalyzed by the enzyme aconitase. Human prostatic secretion is remarkably rich in citric acid and low aconitase activity will therefore play a significant role in enabling accumulation of high citrate levels (PubMed ID 8115279).
Regulatory Network
Full List of Protein(s) Regulating This Metabolite
      Hydrolases (EC 3)
            Leukotriene-C4 hydrolase (GGT1) 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 Knockdown (siRNA) of GGT1
                      Induced Change Isocitrate concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Renal cell carcinoma [ICD-11: 2C90]
                      Details It is reported that knockdown of GGT1 leads to the increase of isocitrate levels compared with control group.
      Oxidoreductases (EC 1)
            Alcohol dehydrogenase iron 1 (ADHFE1) 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 [2]
                      Introduced Variation Overexpression of ADHFE1
                      Induced Change Isocitrate concentration: increase
                      Summary Introduced Variation         Induced Change 
                      Disease Status Breast cancer [ICD-11: 2C60]
                      Details It is reported that overexpression of ADHFE1 leads to the increase of isocitrate levels compared with control group.
      Transcription factor (TF)
            Myc proto-oncogene protein (MYC) 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 [3]
                      Introduced Variation Knockdown (siRNA) of MYC
                      Induced Change Isocitrate concentration: decrease
                      Summary Introduced Variation         Induced Change 
                      Disease Status Colorectal cancer [ICD-11: 2B91]
                      Details It is reported that knockdown of MYC leads to the decrease of isocitrate levels compared with control group.
References
1 Impairment of gamma-glutamyl transferase 1 activity in the metabolic pathogenesis of chromophobe renal cell carcinoma. Proc Natl Acad Sci U S A. 2018 Jul 3;115(27):E6274-E6282.
2 ADHFE1 is a breast cancer oncogene and induces metabolic reprogramming. J Clin Invest. 2018 Jan 2;128(1):323-340.
3 Global metabolic reprogramming of colorectal cancer occurs at adenoma stage and is induced by MYC. Proc Natl Acad Sci U S A. 2017 Sep 12;114(37):E7697-E7706.

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