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    magnesium;(3S)-3-amino-4-hydroxy-4-oxobutanoate

    PharmaCompass
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    2D Structure
    Also known as: 2068-80-6, Magnesium l-aspartate, Magnesium aspartate, H-asp-oh.mg, Monomagnesium di-l-aspartate, L-aspartic acid, magnesium salt (2:1)
    Molecular Formula
    C8H12MgN2O8
    Molecular Weight
    288.49  g/mol
    InChI Key
    RXMQCXCANMAVIO-CEOVSRFSSA-L
    One of the non-essential amino acids commonly occurring in the L-form. It is found in animals and plants, especially in sugar cane and sugar beets. It may be a neurotransmitter.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    magnesium;(3S)-3-amino-4-hydroxy-4-oxobutanoate
    2.1.2 InChI
    InChI=1S/2C4H7NO4.Mg/c2*5-2(4(8)9)1-3(6)7;/h2*2H,1,5H2,(H,6,7)(H,8,9);/q;;+2/p-2/t2*2-;/m00./s1
    2.1.3 InChI Key
    RXMQCXCANMAVIO-CEOVSRFSSA-L
    2.1.4 Canonical SMILES
    C(C(C(=O)O)N)C(=O)[O-].C(C(C(=O)O)N)C(=O)[O-].[Mg+2]
    2.1.5 Isomeric SMILES
    C([C@@H](C(=O)O)N)C(=O)[O-].C([C@@H](C(=O)O)N)C(=O)[O-].[Mg+2]
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. (+-)-aspartic Acid

    2. (r,s)-aspartic Acid

    3. Ammonium Aspartate

    4. Aspartate

    5. Aspartate Magnesium Hydrochloride

    6. Aspartate, Ammonium

    7. Aspartate, Calcium

    8. Aspartate, Dipotassium

    9. Aspartate, Disodium

    10. Aspartate, Magnesium

    11. Aspartate, Monopotassium

    12. Aspartate, Monosodium

    13. Aspartate, Potassium

    14. Aspartate, Sodium

    15. Aspartic Acid

    16. Aspartic Acid, Ammonium Salt

    17. Aspartic Acid, Calcium Salt

    18. Aspartic Acid, Dipotassium Salt

    19. Aspartic Acid, Disodium Salt

    20. Aspartic Acid, Hydrobromide

    21. Aspartic Acid, Hydrochloride

    22. Aspartic Acid, Magnesium (1:1) Salt, Hydrochloride, Trihydrate

    23. Aspartic Acid, Magnesium (2:1) Salt

    24. Aspartic Acid, Magnesium-potassium (2:1:2) Salt

    25. Aspartic Acid, Monopotassium Salt

    26. Aspartic Acid, Monosodium Salt

    27. Aspartic Acid, Potassium Salt

    28. Aspartic Acid, Sodium Salt

    29. Calcium Aspartate

    30. Dipotassium Aspartate

    31. Disodium Aspartate

    32. L Aspartate

    33. L Aspartic Acid

    34. L-aspartate

    35. L-aspartic Acid

    36. Magnesiocard

    37. Magnesium Aspartate

    38. Mg-5-longoral

    39. Monopotassium Aspartate

    40. Monosodium Aspartate

    41. Potassium Aspartate

    42. Sodium Aspartate

    2.2.2 Depositor-Supplied Synonyms

    1. 2068-80-6

    2. Magnesium L-aspartate

    3. Magnesium Aspartate

    4. H-asp-oh.mg

    5. Monomagnesium Di-l-aspartate

    6. L-aspartic Acid, Magnesium Salt (2:1)

    7. L-aspartic Acid Magnesium Salt

    8. Magnesium (s)-2-amino-3-carboxypropanoate

    9. Magnesium L-aspartate Salt

    10. 18962-61-3

    11. Magnesium L-aspartate (jan)

    12. Magnesium;(3s)-3-amino-4-hydroxy-4-oxobutanoate

    13. 215533-00-9

    14. Dtxsid40889452

    15. Mfcd28134197

    16. Akos022185485

    17. D02026

    18. A879494

    19. J-012232

    20. Q6731379

    2.3 Create Date
    2005-06-24
    3 Chemical and Physical Properties
    Molecular Weight 288.49 g/mol
    Molecular Formula C8H12MgN2O8
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count4
    Exact Mass288.0444070 g/mol
    Monoisotopic Mass288.0444070 g/mol
    Topological Polar Surface Area207 Ų
    Heavy Atom Count19
    Formal Charge0
    Complexity127
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count3
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    A - Alimentary tract and metabolism

    A12 - Mineral supplements

    A12C - Other mineral supplements

    A12CC - Magnesium

    A12CC05 - Magnesium aspartate