RefMet Compound Details

MW structure37710 (View MW Metabolite Database details)
RefMet name2,3-Diphosphoglyceric acid
Systematic name(2R)-2,3-bis(phosphonooxy)propanoic acid
SMILESO=C(O)[C@@H](COP(=O)(O)O)OP(=O)(O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass265.959276 (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
FormulaC3H8O10P2View other entries in RefMet with this formula
InChIInChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1
InChIKeyXOHUEYCVLUUEJJ-UWTATZPHSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassShort-chain acids
Sub ClassShort-chain acids
Pubchem CID186004
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 2,3-Diphosphoglyceric acid

Rxn IDKEGG ReactionEnzyme
R01516 2,3-Bisphospho-D-glycerate + Protein histidine <=> 3-Phospho-D-glycerate + Protein N(tau)-phospho-L-histidine2,3-bisphospho-D-glycerate 2-phosphohydrolase
R01662 3-Phospho-D-glyceroyl phosphate <=> 2,3-Bisphospho-D-glycerate3-phospho-D-glycerate 1,2-phosphomutase
R09532 2,3-Bisphospho-D-glycerate + H2O <=> 2-Phospho-D-glycerate + Orthophosphate2,3-bisphospho-D-glycerate 3-phosphohydrolase

Table of KEGG human pathways containing 2,3-Diphosphoglyceric acid

Pathway IDHuman Pathway# of reactions
hsa00010 Glycolysis / Gluconeogenesis 3
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