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ScientificNameLabel
pyruvate
PHCD compound ID : 708
Chemical Names :
pyruvate
Molecular Formula : C3H3O3
Molecular Weight : 87.008219
More Details :
Names & Synonyms: 2-oxopropanoate , 2-oxidanylidenepropanoate , pyruvate
Smiles: CC(=O)C(=O)[O-]
InChi : InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)/p-1
InChi Key : InChIKey=LCTONWCANYUPML-UHFFFAOYSA-M
PubChem ID : 107735
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 4.368212
Hydrogen bond donor count : 0 Electric dipole moment : 5.256
XLogP : -0.907 VDW volume : 80.223946
Molecular weight : 87.008219 HOMO-LUMO gap : 9.433000
Herb list :
Refrences & Litretures:
  
46.      Journal:'J. Agric. Food Chem'      Year:'2006'      Volume:'54'      Page:'8301'      DOI:'10.1021/jf0615451'      Title:'Metabolite Profiling of Wheat Grains (Triticum aestivum L.) from Organic and Conventional Agriculture'
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