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ScientificNameLabel
2-phosphoglycerate
PHCD compound ID : 701
Chemical Names :
2-phosphoglycerate
Molecular Formula : C3H7O7P1
Molecular Weight : 185.992939
More Details :
Names & Synonyms: 3-hydroxy-2-phosphonooxy-propanoic acid , 3-hydroxy-2-phosphonooxypropanoic acid , 3-oxidanyl-2-phosphonooxy-propanoic acid , 3-hydroxy-2-phosphonooxy-propionic acid
Smiles: OC[C@@H](C(=O)O)OP(=O)(O)O
InChi : InChI=1S/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
InChi Key : InChIKey=GXIURPTVHJPJLF-REOHCLBHSA-N
PubChem ID : 59
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 10.360331
Hydrogen bond donor count : 4 Electric dipole moment : 2.010
XLogP : -2.952 VDW volume : 139.166794
Molecular weight : 185.992939 HOMO-LUMO gap : 10.013000
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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