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ScientificNameLabel
Canavanine
PHCD compound ID : 5050
Chemical Names :
Canavanine
Molecular Formula : C5H12N4O3
Molecular Weight : 176.09094
More Details :
Names & Synonyms: (2S)-2-amino-4-guanidinooxy-butanoic acid , (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid , (2S)-2-amino-4-(diaminomethylideneamino)oxybutanoic acid , (2S)-2-azanyl-4-[bis(azanyl)methylideneamino]oxy-butanoic acid , (2S)-2-amino-4-guanidinooxy-butyric acid
Smiles: OC(=O)[C@H](CCON=C(N)N)N
InChi : InChI=1S/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)/t3-/m0/s1
InChi Key : InChIKey=FSBIGDSBMBYOPN-VKHMYHEASA-N
PubChem ID : 439202
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.834299
Hydrogen bond donor count : 4 Electric dipole moment : 2.344
XLogP : -3.313 VDW volume : 160.121185
Molecular weight : 176.09094 HOMO-LUMO gap : 9.420000
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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