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ScientificNameLabel
homocysteine
PHCD compound ID : 713
Chemical Names :
homocysteine
Molecular Formula : C4H9N1O2S1
Molecular Weight : 135.0354
More Details :
Names & Synonyms: (2S)-2-amino-4-sulfanyl-butanoic acid , (2S)-2-amino-4-mercaptobutanoic acid , (2S)-2-amino-4-sulfanylbutanoic acid , (2S)-2-azanyl-4-sulfanyl-butanoic acid , (2S)-2-amino-4-mercapto-butyric acid
Smiles: N[C@H](C(=O)O)CCS
InChi : InChI=1S/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)/t3-/m0/s1
InChi Key : InChIKey=FFFHZYDWPBMWHY-VKHMYHEASA-N
PubChem ID : 91552
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.039761
Hydrogen bond donor count : 2 Electric dipole moment : 1.779
XLogP : -2.217 VDW volume : 122.190176
Molecular weight : 135.0354 HOMO-LUMO gap : 8.629000
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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