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    Technical details about Pi-Methylhistidine, learn more about the structure, uses, toxicity, action, side effects and more

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    Pi-Methylhistidine

    PharmaCompass

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    2D Structure
    1. Also known as: 332-80-9, 1-methylhistidine, H-his(1-me)-oh, Pi-methylhistidine, N1-methyl-l-histidine, L-1-methylhistidine
    Molecular Formula
    C7H11N3O2
    Molecular Weight
    169.18  g/mol
    InChI Key
    BRMWTNUJHUMWMS-LURJTMIESA-N
    FDA UNII
    583O01BJ32
    1-Methylhistidine is a histidine derivative that has a methyl group bound to the nitrogen at position 1 and results from the metabolism of the dipeptide anserine. Urinary levels of 1-methylhistidine may be indicative of myofibrillar protein degradation or a high protein diet.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-2-amino-3-(1-methylimidazol-4-yl)propanoic acid
    2.1.2 InChI
    InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
    2.1.3 InChI Key
    BRMWTNUJHUMWMS-LURJTMIESA-N
    2.1.4 Canonical SMILES
    CN1C=C(N=C1)CC(C(=O)O)N
    2.1.5 Isomeric SMILES
    CN1C=C(N=C1)C[C@@H](C(=O)O)N
    2.2 Other Identifiers
    2.2.1 UNII
    583O01BJ32
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1-methylhistidine

    2. 1-methylhistidine Dihydrochloride

    2.3.2 Depositor-Supplied Synonyms

    1. 332-80-9

    2. 1-methylhistidine

    3. H-his(1-me)-oh

    4. Pi-methylhistidine

    5. N1-methyl-l-histidine

    6. L-1-methylhistidine

    7. 4-methyl-histidine

    8. L-histidine, 1-methyl-

    9. 1-methyl Histidine

    10. (s)-2-amino-3-(1-methyl-1h-imidazol-4-yl)propanoic Acid

    11. 1-n-methyl-l-histidine

    12. 1 Methylhistidine

    13. Histidine, 1-methyl-, L-

    14. 1-methyl-histidine

    15. Chebi:50599

    16. 1-mhis

    17. 3-(1-methylimidazol-4-yl)-l-alanine

    18. N(tele)-methyl-l-histidine

    19. Chembl1233327

    20. 3-methyl-l-histidine (archaic)

    21. 583o01bj32

    22. (2s)-2-amino-3-(1-methyl-1h-imidazol-4-yl)propanoic Acid

    23. N

    24. O-methyl-l-histidine

    25. Unii-583o01bj32

    26. Nsc-524367

    27. Einecs 206-368-0

    28. Nsc 524367

    29. N

    30. O-methyl-his-oh

    31. Nt-methyl-l-histidine

    32. H-his(ntau-me)-oh

    33. Ntau-methyl-l-histidine

    34. Histidine, 1-methyl-l-

    35. Histidine, N-tau-methyl-

    36. Tele-methylhistidine

    37. Bmse000449

    38. Schembl52216

    39. .tau.-methylhistidine

    40. 1-methyl Histidine (l-form)

    41. Dtxsid50186848

    42. L-histidine, 1-methyl- (9ci)

    43. Zinc2563973

    44. Bdbm50463197

    45. Histidine, 1-methyl-, L- (8ci)

    46. Mfcd00005295

    47. Akos016843072

    48. Cs-w017722

    49. Db04151

    50. Fd21681

    51. Hy-w017006

    52. As-57334

    53. 1-methyl-l-histidine, >=98.0% (tlc)

    54. Db-008068

    55. 332m809

    56. J-019123

    57. Q27094989

    58. Abb55d30-e94c-412d-9b7a-e423fa8c1620

    2.4 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 169.18 g/mol
    Molecular Formula C7H11N3O2
    XLogP3-3.3
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass169.085126602 g/mol
    Monoisotopic Mass169.085126602 g/mol
    Topological Polar Surface Area81.1 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity174
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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