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3,4-Dihydroxyphenylalanine
PHCD compound ID : 5037
Chemical Names :
3,4-Dihydroxyphenylalanine
Molecular Formula : C9H11N1O4
Molecular Weight : 197.068808
More Details :
Names & Synonyms: (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid , (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid , (2S)-2-azanyl-3-[3,4-bis(oxidanyl)phenyl]propanoic acid , (2S)-2-amino-3-(3,4-dihydroxyphenyl)propionic acid
Smiles: OC(=O)[C@H](Cc1ccc(c(c1)O)O)N
InChi : InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
InChi Key : InChIKey=WTDRDQBEARUVNC-LURJTMIESA-N
PubChem ID : 6047
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.981553
Hydrogen bond donor count : 4 Electric dipole moment : 4.386
XLogP : -2.363 VDW volume : 176.575694
Molecular weight : 197.068808 HOMO-LUMO gap : 8.798000
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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