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ScientificNameLabel
Alpha-ketoglutarate
PHCD compound ID : 711
Chemical Names :
Alpha-ketoglutarate
Molecular Formula : C5H4O5
Molecular Weight : 144.005873
More Details :
Names & Synonyms: 2-oxopentanedioate , 2-oxidanylidenepentanedioate , 2-ketoglutarate
Smiles: [O-]C(=O)CCC(=O)C(=O)[O-]
InChi : InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)/p-2
InChi Key : InChIKey=KPGXRSRHYNQIFN-UHFFFAOYSA-L
PubChem ID : 164533
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 1.625546
Hydrogen bond donor count : 0 Electric dipole moment : 2.566
XLogP : -2.018 VDW volume : 128.441681
Molecular weight : 144.005873 HOMO-LUMO gap : 9.688000
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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