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ScientificNameLabel
3-Methylhistidine
PHCD compound ID : 5049
Chemical Names :
3-Methylhistidine
Molecular Formula : C7H11N3O2
Molecular Weight : 169.085127
More Details :
Names & Synonyms: (2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid , (2S)-2-amino-3-(3-methyl-4-imidazolyl)propanoic acid , (2S)-2-amino-3-(3-methylimidazol-4-yl)propanoic acid , (2S)-2-azanyl-3-(3-methylimidazol-4-yl)propanoic acid , (2S)-2-amino-3-(3-methylimidazol-4-yl)propionic acid
Smiles: Cn1cncc1C[C@@H](C(=O)O)N
InChi : InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
InChi Key : InChIKey=JDHILDINMRGULE-LURJTMIESA-N
PubChem ID : 64969
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.283257
Hydrogen bond donor count : 2 Electric dipole moment : 4.557
XLogP : -3.125 VDW volume : 149.03325
Molecular weight : 169.085127 HOMO-LUMO gap : 9.764000
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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