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    Technical details about 4-Oxopentanoic Acid, learn more about the structure, uses, toxicity, action, side effects and more

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    4-Oxopentanoic Acid

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    DIGITAL CONTENT

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    2D Structure
    1. Also known as: 4-oxopentanoic acid, 123-76-2, Laevulinic acid, 4-oxovaleric acid, Pentanoic acid, 4-oxo-, Levulic acid
    Molecular Formula
    C5H8O3
    Molecular Weight
    116.11  g/mol
    InChI Key
    JOOXCMJARBKPKM-UHFFFAOYSA-N
    FDA UNII
    RYX5QG61EI
    levulinic acid is a natural product found in Dendronephthya hemprichi with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-oxopentanoic acid
    2.1.2 InChI
    InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
    2.1.3 InChI Key
    JOOXCMJARBKPKM-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(=O)CCC(=O)O
    2.2 Other Identifiers
    2.2.1 UNII
    RYX5QG61EI
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-oxopentanoic Acid, 4-ketovaleric Acid

    2. Calcium Levulate

    3. Calcium Levulinate

    4. Diasporal

    5. Gamma-ketovaleric Acid

    6. Levulinic Acid, Ammonium Salt

    7. Levulinic Acid, Calcium Salt

    8. Levulinic Acid, Sodium Salt

    9. Magnesium Diasporal

    10. Magnesium Laevulinate

    11. Magnesium Levulinate

    2.3.2 Depositor-Supplied Synonyms

    1. 4-oxopentanoic Acid

    2. 123-76-2

    3. Laevulinic Acid

    4. 4-oxovaleric Acid

    5. Pentanoic Acid, 4-oxo-

    6. Levulic Acid

    7. 3-acetylpropionic Acid

    8. 4-ketovaleric Acid

    9. Leva

    10. Gamma-ketovaleric Acid

    11. Acetopropionic Acid

    12. Levulinsaeure

    13. Laevulic Acid

    14. 4-oxo-pentanoic Acid

    15. Valeric Acid, 4-oxo-

    16. Beta-acetylpropionic Acid

    17. Usaf Cz-1

    18. Propionic Acid, 3-acetyl-

    19. Fema No. 2627

    20. 3-ketobutane-1-carboxylic Acid

    21. Nsc 3716

    22. .beta.-acetylpropionic Acid

    23. Acetylpropionic Acid

    24. B-acetylpropionic Acid

    25. Nsc-3716

    26. .gamma.-ketovaleric Acid

    27. Ryx5qg61ei

    28. Chebi:45630

    29. Nsc3716

    30. Laevulinate

    31. Levulate

    32. 4-ketovalerate

    33. Valeric Acid, 4-oxo-(levulinic Acid)

    34. Gamma-ketovalerate

    35. 3-acetylpropionate

    36. Beta-acetylpropionate

    37. Dsstox_cid_1648

    38. 4-oxopentansaeure

    39. Acidum Laevulinicum

    40. Dsstox_rid_76262

    41. Dsstox_gsid_21648

    42. 3-acetylpropionsaeure

    43. Cas-123-76-2

    44. Pentanoic Acid, 4-oxo

    45. Einecs 204-649-2

    46. Unii-ryx5qg61ei

    47. Brn 0506796

    48. Levulinicacid

    49. Laevulinsaeure

    50. Levulenic Acid

    51. G-ketovalerate

    52. Ai3-03377

    53. B-acetylpropionate

    54. 4-oxopentanoicacid

    55. G-ketovaleric Acid

    56. Mfcd00002796

    57. Substrate Analogue, 8

    58. Levulinic Acid, 98%

    59. Levulinic Acid [mi]

    60. Wln: Qv2v1

    61. Schembl20868

    62. Levulinic Acid [fcc]

    63. 4-03-00-01560 (beilstein Handbook Reference)

    64. Levulinic Acid [fhfi]

    65. Levulinic Acid [inci]

    66. Levulinic Acid, >=97%, Fg

    67. Chembl1235931

    68. Dtxsid8021648

    69. Bdbm82191

    70. Zinc586584

    71. Levulinic Acid, Analytical Standard

    72. Hy-y0839

    73. Levulinic Acid, Natural, 99%, Fg

    74. Tox21_201483

    75. Tox21_302729

    76. Bbl027404

    77. Geo-04255

    78. Lmfa01060006

    79. S6207

    80. Stk802043

    81. Akos000119608

    82. Db02239

    83. Pb48051

    84. Ncgc00249052-01

    85. Ncgc00256314-01

    86. Ncgc00259034-01

    87. Vs-08535

    88. Db-003710

    89. Pentanoic Acid,4-oxo Mfc5 H8 O3

    90. Am20080171

    91. Cs-0015813

    92. Ft-0627815

    93. L0042

    94. D70802

    95. A805146

    96. Q903322

    97. Sr-01000944838

    98. J-004982

    99. J-521643

    100. Sr-01000944838-1

    101. F2191-0253

    102. Z1270312195

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 116.11 g/mol
    Molecular Formula C5H8O3
    XLogP3-0.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass116.047344113 g/mol
    Monoisotopic Mass116.047344113 g/mol
    Topological Polar Surface Area54.4 Ų
    Heavy Atom Count8
    Formal Charge0
    Complexity106
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

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