RefMet Compound Details

MW structure	37071 (View MW Metabolite Database details)
RefMet name	Citric acid
Systematic name	2-hydroxypropane-1,2,3-tricarboxylic acid
SMILES	C(C(=O)O)C(CC(=O)O)(C(=O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	192.027005 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C6H8O7	View other entries in RefMet with this formula
InChI	InChI=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)
InChIKey	KRKNYBCHXYNGOX-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Organic acids
Main Class	TCA acids
Sub Class	TCA acids
Pubchem CID	311
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Citric acid

Rxn ID	KEGG Reaction	Enzyme
R01324	Citrate <=> Isocitrate	citrate hydroxymutase
R00351	ATP + Citrate + CoA <=> ADP + Orthophosphate + Acetyl-CoA + Oxaloacetate	acetyl-CoA:oxaloacetate C-acetyltransferase [(pro-S)-carboxymethyl-forming, ADP-phosphorylating]
R00352	Citrate + CoA <=> Acetyl-CoA + H2O + Oxaloacetate	acetyl-CoA:oxaloacetate C-acetyltransferase (thioester-hydrolysing)
R10677	ATP + Citrate + L-Glutamate <=> ADP + Orthophosphate + beta-Citryl-L-glutamate	citrate:L-glutamate ligase (ADP-forming)
R00351	Citrate + CoA <=> Acetyl-CoA + H2O + Oxaloacetate	acetyl-CoA:oxaloacetate C-acetyltransferase (thioester-hydrolysing)
R01325	Citrate <=> cis-Aconitate + H2O	citrate hydro-lyase (cis-aconitate-forming)
R00352	ATP + Citrate + CoA <=> ADP + Orthophosphate + Acetyl-CoA + Oxaloacetate	acetyl-CoA:oxaloacetate C-acetyltransferase [(pro-S)-carboxymethyl-forming, ADP-phosphorylating]

Table of KEGG human pathways containing Citric acid

Pathway ID	Human 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