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ScientificNameLabel
cystathionine
PHCD compound ID : 720
Chemical Names :
cystathionine
Molecular Formula : C7H14N2O4S1
Molecular Weight : 222.067428
More Details :
Names & Synonyms: (2S)-2-amino-4-[(2R)-2-amino-2-carboxy-ethyl]sulfanyl-butanoic acid , (2S)-2-amino-4-[[(2R)-2-amino-2-carboxyethyl]thio]butanoic acid , (2S)-2-amino-4-[(2R)-2-amino-2-carboxyethyl]sulfanylbutanoic acid , (2S)-2-azanyl-4-[(2R)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-butanoic acid , (2S)-2-amino-4-[[(2R)-2-amino-2-carboxy-ethyl]thio]butyric acid
Smiles: N[C@H](C(=O)O)CCSC[C@@H](C(=O)O)N
InChi : InChI=1S/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
InChi Key : InChIKey=ILRYLPWNYFXEMH-WHFBIAKZSA-N
PubChem ID : 439258
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.896973
Hydrogen bond donor count : 4 Electric dipole moment : 1.106
XLogP : -3.209 VDW volume : 200.018885
Molecular weight : 222.067428 HOMO-LUMO gap : 8.698000
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'
785.      Journal:'J. Agric. Food Chem'      Year:'1967'      Volume:'15'      Page:'1040'      DOI:'10.1021/jf60154a024'      Title:'Mushroom ninhydrin-positive compounds. Amino acids, related compounds, and other nitrogenous substances found in cultivated mushroom, Agaricus campestris'
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