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ScientificNameLabel
2-hydroxyglutarate
PHCD compound ID : 712
Chemical Names :
2-hydroxyglutarate
Molecular Formula : C5H6O5
Molecular Weight : 146.021523
More Details :
Names & Synonyms: 2-hydroxypentanedioate , 2-oxidanylpentanedioate , 2-hydroxyglutarate
Smiles: [O-]C(=O)CC[C@H](C(=O)[O-])O
InChi : InChI=1S/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)/p-2/t3-/m1/s1
InChi Key : InChIKey=HWXBTNAVRSUOJR-GSVOUGTGSA-L
PubChem ID : 4609868
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 1.669470
Hydrogen bond donor count : 1 Electric dipole moment : 4.627
XLogP : -2.078 VDW volume : 131.078139
Molecular weight : 146.021523 HOMO-LUMO gap : 11.366000
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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