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ScientificNameLabel
citrate
PHCD compound ID : 704
Chemical Names :
citrate
Molecular Formula : C6H5O7
Molecular Weight : 189.003528
More Details :
Names & Synonyms: citrate , 2-hydroxypropane-1,2,3-tricarboxylate , 2-oxidanylpropane-1,2,3-tricarboxylate
Smiles: [O-]C(=O)C(CC(=O)[O-])(CC(=O)[O-])O
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)/p-3
InChi Key : InChIKey=KRKNYBCHXYNGOX-UHFFFAOYSA-K
PubChem ID : 31348
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : -2.150941
Hydrogen bond donor count : 1 Electric dipole moment : 1.169
XLogP : -3.69 VDW volume : 161.999889
Molecular weight : 189.003528 HOMO-LUMO gap : 11.131000
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'
747.      Journal:'Plant Physiol'      Year:'1991'      Volume:'96'      Page:'1228'      DOI:''      Title:'Effects of Salt Stress on Amino Acid, Organic Acid, and Carbohydrate Composition of Roots, Bacteroids, and Cytosol of Alfalfa (Medicago sativa L.)'
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