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ScientificNameLabel
Theanine
PHCD compound ID : 5144
Chemical Names :
Theanine
Molecular Formula : C7H14N2O3
Molecular Weight : 174.100442
More Details :
Names & Synonyms: (2S)-2-amino-5-(ethylamino)-5-oxo-pentanoic acid , (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid , (2S)-2-amino-5-(ethylamino)-5-oxopentanoic acid , (2S)-2-azanyl-5-(ethylamino)-5-oxidanylidene-pentanoic acid , (2S)-2-amino-5-(ethylamino)-5-keto-valeric acid
Smiles: CCNC(=O)CC[C@@H](C(=O)O)N
InChi : InChI=1S/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t5-/m0/s1
InChi Key : InChIKey=DATAGRPVKZEWHA-YFKPBYRVSA-N
PubChem ID : 439378
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.855303
Hydrogen bond donor count : 3 Electric dipole moment : 2.458
XLogP : -3.136 VDW volume : 172.719634
Molecular weight : 174.100442 HOMO-LUMO gap : 10.530000
Herb list :
Refrences & Litretures:
  
816.      Journal:'Food Chemistry'      Year:'2001'      Volume:'75'      Page:'339'      DOI:'10.1016/S0308-8146(01)00209-6'      Title:'Comparison of chemical compositions of Ilex latifolia Thumb and Camellia sinensis L'
817.      Journal:'Int. J. Mol. Sci'      Year:'2011'      Volume:'12'      Page:'8846'      DOI:'10.3390/ijms12128846'      Title:'Compositional Studies: Antioxidant and Antidiabetic Activities of Capparis decidua (Forsk.) Edgew'
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