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ScientificNameLabel
S-Methyl-L-cysteine sulfoxides
PHCD compound ID : 5027
Chemical Names :
S-Methyl-L-cysteine sulfoxides
Molecular Formula : C4H9N1O3S1
Molecular Weight : 151.030314
More Details :
Names & Synonyms: (2R)-2-amino-3-methylsulfinyl-propanoic acid , (2R)-2-amino-3-methylsulfinylpropanoic acid , (2R)-2-amino-3-methylsulfinylpropanoic acid , (2R)-2-azanyl-3-methylsulfinyl-propanoic acid , (2R)-2-amino-3-methylsulfinyl-propionic acid
Smiles: C[S@](=O)C[C@@H](C(=O)O)N
InChi : InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-,9-/m0/s1
InChi Key : InChIKey=ZZLHPCSGGOGHFW-KTCWOMIQSA-N
PubChem ID : 182092
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.864091
Hydrogen bond donor count : 2 Electric dipole moment : 3.379
XLogP : -4.24 VDW volume : 130.980403
Molecular weight : 151.030314 HOMO-LUMO gap : 9.331000
Herb list :
Refrences & Litretures:
  
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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