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ScientificNameLabel
Aspartate
PHCD compound ID : 1664
Chemical Names :
Aspartic acid , Aspartate
Molecular Formula : C4H7N1O4
Molecular Weight : 133.037508
More Details :
Names & Synonyms: 2-aminobutanedioic acid , 2-azanylbutanedioic acid , 2-aminosuccinic acid
Smiles: OC(=O)C[C@@H](C(=O)O)N
InChi : InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1
InChi Key : InChIKey=CKLJMWTZIZZHCS-REOHCLBHSA-N
PubChem ID : 424
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 10.316371
Hydrogen bond donor count : 3 Electric dipole moment : 1.674
XLogP : -3.707 VDW volume : 118.625147
Molecular weight : 133.037508 HOMO-LUMO gap : 10.672000
Herb list :
Refrences & Litretures:
  
188.      Journal:'Journal of Pharmaceutical and Biomedical Analysis'      Year:'2013'      Volume:'75'      Page:'158'      DOI:'10.1016/j.jpba.2012.11.023'      Title:'Metabolomic pro?ling of the antitussive and expectorant plant Tussilago farfara L. by nuclear magnetic resonance spectroscopy and multivariate data analysis'
747.      Journal:'Plant Physiol'      Year:'1991'      Volume:'96'      Page:'1228'      DOI:''      Title:'Effects of Salt Stress on Amino Acid, Organic Acid, and Carbohydrate Composition of Roots, Bacteroids, and Cytosol of Alfalfa (Medicago sativa L.)'
784.      Journal:'J Biol Chem'      Year:'1969'      Volume:'244'      Page:'4713'      DOI:''      Title:'Studies on a Hemagglutinin from the Meadow Mushroom'
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'
808.      Journal:'Phytochemistry'      Year:'1985'      Volume:'24'      Page:'2301'      DOI:'10.1016/S0031-9422(00)83031-9'      Title:'The composition of the proteinaceous polysaccharides exuded by astragalus microcephalus, A. Gummifer and A. Kurdicus—The sources of turkish gum tragacanth'
816.      Journal:'Food Chemistry'      Year:'2001'      Volume:'75'      Page:'339'      DOI:'10.1016/S0308-8146(01)00209-6'      Title:'Comparison of chemical compositions of Ilex latifolia Thumb and Camellia sinensis L'
817.      Journal:'Int. J. Mol. Sci'      Year:'2011'      Volume:'12'      Page:'8846'      DOI:'10.3390/ijms12128846'      Title:'Compositional Studies: Antioxidant and Antidiabetic Activities of Capparis decidua (Forsk.) Edgew'
846.      Journal:'Research Journal of Pharmacognosy'      Year:'2019'      Volume:'6'      Page:'1'      DOI:'10.22127/rjp.2019.89444'      Title:'The Proximate, Mineral and Amino Acid Composition of Spring, Autumn Leaves and Roots of Eryngium caeruleum M.Bieb'
886.      Journal:'J. Sci. Food Agric'      Year:'1982'      Volume:'33'      Page:'336'      DOI:'10.1002/jsfa.2740330406'      Title:'Chemical Composition of Hulls of the Sweet Almond (Prunus amygdalus)'
891.      Journal:'Journal of Medicinal Plants Research'      Year:'2010'      Volume:'4'      Page:'95'      DOI:'10.5897/JMPR09.026'      Title:'The chemistry, pharmacology and clinical properties of Sambucus ebulus: A review'
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