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    Ademetionine

    ACTIVE PHARMA INGREDIENTS

    FINISHED DOSAGE FORMULATIONS

    DIGITAL CONTENT

    GLOBAL SALES INFORMATION

    MARKET PLACE

    REF. STANDARDS & IMPURITIES

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    2D Structure
    Also known as: S-adenosylmethionine, Ademetionine, Adomet, 485-80-3, Donamet, S-adenosyl methionine
    Molecular Formula
    C15H23N6O5S+
    Molecular Weight
    399.4  g/mol
    InChI Key
    MEFKEPWMEQBLKI-AIRLBKTGSA-O
    Physiologic methyl radical donor involved in enzymatic transmethylation reactions and present in all living organisms. It possesses anti-inflammatory activity and has been used in treatment of chronic liver disease. (From Merck, 11th ed)
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium
    2.1.2 InChI
    InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1/t7-,8+,10+,11+,14+,27?/m0/s1
    2.1.3 InChI Key
    MEFKEPWMEQBLKI-AIRLBKTGSA-O
    2.1.4 Canonical SMILES
    C[S+](CCC(C(=O)O)N)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
    2.1.5 Isomeric SMILES
    C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Ademetionine

    2. Adomet

    3. Fo 1561

    4. Fo-1561

    5. Fo1561

    6. Gumbaral

    7. S Adenosyl L Methionine

    8. S Adenosylmethionine

    9. S Adenosylmethionine Sulfate Tosylate

    10. S Amet

    11. S-adenosylmethionine

    12. S-adenosylmethionine Sulfate Tosylate

    13. Sam-e

    14. Samyr

    2.2.2 Depositor-Supplied Synonyms

    1. S-adenosylmethionine

    2. Ademetionine

    3. Adomet

    4. 485-80-3

    5. Donamet

    6. S-adenosyl Methionine

    7. Adenosylmethionine

    8. Chebi:15414

    9. Active Methionine

    10. Chembl224120

    11. Methionine, S-adenosyl-

    12. (r)-s-adenosyl-l-methionine

    13. (s)-s-adenosyl-l-methionine

    14. S-(5'-deoxyadenosin-5'-yl)-l-methionine

    15. Adenosine, 5'-[[(3s)-3-amino-3-carboxypropyl]methylsulfonio]-5'-deoxy-

    16. S-adenosyl-methionine

    17. (s,s)-adomet

    18. [(3s)-3-amino-3-carboxypropyl]-[[(2s,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium

    19. S-(5'-adenosyl)-l-methionine

    20. 2-s-adenosyl-l-methionine

    21. Sam

    22. Ncgc00167546-02

    23. S-adenosyl-l-methionine Disulphate Tosylate

    24. Ademethionine

    25. Adome

    26. Adenosine, 5'-((l-3-amino-3-carboxypropyl)methylsulfonio)-5'-deoxy-, Hydroxide, Inner Salt

    27. Bmse000059

    28. Schembl25177

    29. Schembl59293

    30. Schembl599664

    31. Gtpl4786

    32. Chebi:33440

    33. Chebi:33442

    34. Dtxsid20110014

    35. S-(5'-adenosyl)methionine-s-ium

    36. Zinc4214738

    37. Zinc4228231

    38. Bdbm50513996

    39. Akos025310126

    40. Am84912

    41. Ncgc00167546-01

    42. S-adenosylmethionine (protonated Carboxy Group)

    43. Q27115647

    44. Q27115649

    45. Q56071634

    46. 5'-deoxyadenosine-5'-l-methionine Disulfate Ditosylate

    47. 5'-deoxyadenosine-5'-l-methionine Disulphate Ditosylate

    48. (3s)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine

    49. [(3s)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium

    50. 5'-[[(3s)-3-amino-3-carboxypropyl]methylsulfonio]-5'-deoxy-adenosine

    51. (3s)-5'-[(3-amino-3-carboxypropyl)methylsulfonio]-5'-deoxyadenosine, Inner Salt

    52. (r)-[(3s)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium

    53. (s)-[(3s)-3-amino-3-carboxypropyl](5'-deoxyadenosin-5'-yl)(methyl)sulfonium

    54. [(3r)-3-amino-3-carboxypropyl]({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium

    55. [(3s)-3-amino-3-carboxypropyl]({[(2s,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl})methylsulfanium

    56. [1-(adenin-9-yl)-1,5-dideoxy-beta-d-ribofuranos-5-yl][(3s)-3-amino-3-carboxypropyl](methyl)sulfonium

    57. 5 Inverted Exclamation Marka-[[(3s)-3-amino-3-carboxypropyl]methylsulfonio]-5 Inverted Exclamation Marka-deoxyadenosine

    58. 5invertedexclamationmarka-[[(3s)-3-amino-3-carboxypropyl]methylsulfonio]-5invertedexclamationmarka-deoxyadenosine

    2.3 Create Date
    2004-09-16
    3 Chemical and Physical Properties
    Molecular Weight 399.4 g/mol
    Molecular Formula C15H23N6O5S+
    XLogP3-3.5
    Hydrogen Bond Donor Count5
    Hydrogen Bond Acceptor Count10
    Rotatable Bond Count7
    Exact Mass399.14506403 g/mol
    Monoisotopic Mass399.14506403 g/mol
    Topological Polar Surface Area184 Ų
    Heavy Atom Count27
    Formal Charge1
    Complexity533
    Isotope Atom Count0
    Defined Atom Stereocenter Count5
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 ATC Code

    A - Alimentary tract and metabolism

    A16 - Other alimentary tract and metabolism products

    A16A - Other alimentary tract and metabolism products

    A16AA - Amino acids and derivatives

    A16AA02 - Ademetionine