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ScientificNameLabel
meso-Lanthionine
PHCD compound ID : 5033
Chemical Names :
meso-Lanthionine
Molecular Formula : C6H12N2O4S1
Molecular Weight : 208.051778
More Details :
Names & Synonyms: (2R)-2-amino-3-[(2S)-2-amino-2-carboxy-ethyl]sulfanyl-propanoic acid , (2R)-2-amino-3-[[(2S)-2-amino-2-carboxyethyl]thio]propanoic acid , (2R)-2-amino-3-[(2S)-2-amino-2-carboxyethyl]sulfanylpropanoic acid , (2R)-2-amino-3-[(2S)-2-amino-2-carboxyethyl]sulfanylpropanoic acid , (2R)-2-azanyl-3-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-propanoic acid , (2R)-2-amino-3-[[(2S)-2-amino-2-carboxy-ethyl]thio]propionic acid
Smiles: N[C@H](C(=O)O)CSC[C@H](C(=O)O)N
InChi : InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4+
InChi Key : InChIKey=DWPCPZJAHOETAG-ZXZARUISSA-N
PubChem ID : 13535
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.966761
Hydrogen bond donor count : 4 Electric dipole moment : 3.355
XLogP : -3.567 VDW volume : 182.7229
Molecular weight : 208.051778 HOMO-LUMO gap : 8.703000
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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