RefMet Compound Details

MW structure37071 (View MW Metabolite Database details)
RefMet nameCitric acid
Systematic name2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESOC(=O)C(O)(CC(O)=O)CC(O)=O
Exact mass192.027005 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H8O7View other entries in RefMet with this formula
InChIInChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyKRKNYBCHXYNGOX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassTCA acids
Sub ClassTCA acids
Pubchem CID311
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples

Table of KEGG reactions in human pathways involving Citric acid

Rxn IDKEGG ReactionEnzyme
R01324 Citrate <=> Isocitratecitrate hydroxymutase
R00351 ATP + Citrate + CoA <=> ADP + Orthophosphate + Acetyl-CoA + Oxaloacetateacetyl-CoA:oxaloacetate C-acetyltransferase [(pro-S)-carboxymethyl-forming, ADP-phosphorylating]
R00352 Citrate + CoA <=> Acetyl-CoA + H2O + Oxaloacetateacetyl-CoA:oxaloacetate C-acetyltransferase (thioester-hydrolysing)
R10677 ATP + Citrate + L-Glutamate <=> ADP + Orthophosphate + beta-Citryl-L-glutamatecitrate:L-glutamate ligase (ADP-forming)
R01325 Citrate <=> cis-Aconitate + H2Ocitrate hydro-lyase (cis-aconitate-forming)

Table of KEGG human pathways containing Citric acid

Pathway IDHuman Pathway# of reactions
hsa00020 Citrate cycle (TCA cycle) 3
hsa01210 2-Oxocarboxylic acid metabolism 3
hsa00630 Glyoxylate and dicarboxylate metabolism 2
hsa01230 Biosynthesis of amino acids 2
hsa00250 Alanine, aspartate and glutamate metabolism 1
hsa01200 Carbon metabolism 1
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