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    Sepiapterin

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    DIGITAL CONTENT

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    2D Structure
    Also known as: L-sepiapterin, 17094-01-8, Sepiapterine, Sepiapterin [usan], Lopac-s-154, Cjq26ko7hp
    Molecular Formula
    C9H11N5O3
    Molecular Weight
    237.22  g/mol
    InChI Key
    VPVOXUSPXFPWBN-VKHMYHEASA-N
    FDA UNII
    CJQ26KO7HP
    L-sepiapterin is a natural product found in Bombyx mori with data available.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-amino-6-[(2S)-2-hydroxypropanoyl]-7,8-dihydro-3H-pteridin-4-one
    2.1.2 InChI
    InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)/t3-/m0/s1
    2.1.3 InChI Key
    VPVOXUSPXFPWBN-VKHMYHEASA-N
    2.1.4 Canonical SMILES
    CC(C(=O)C1=NC2=C(NC1)N=C(NC2=O)N)O
    2.1.5 Isomeric SMILES
    C[C@@H](C(=O)C1=NC2=C(NC1)N=C(NC2=O)N)O
    2.2 Other Identifiers
    2.2.1 UNII
    CJQ26KO7HP
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 2-amino-6-(s)-lactoyl-7,8-dihydro-4(3h)- Pteridinone

    2. 2-amino-7,8-dihydro-6-((2s)-2-hydroxy-1-oxopropyl)-4(3h)-pteridinone Acid

    3. 4(3h)-pteridinone, 2-amino-7,8-dihydro-6-((2s)-2-hydroxy-1-oxopropyl)-

    4. L-sepiapterin

    5. Sepia-pterin

    6. Sepiapterin-c

    7. Sepiapterine

    2.3.2 Depositor-Supplied Synonyms

    1. L-sepiapterin

    2. 17094-01-8

    3. Sepiapterine

    4. Sepiapterin [usan]

    5. Lopac-s-154

    6. Cjq26ko7hp

    7. (s)-2-amino-6-(2-hydroxypropanoyl)-7,8-dihydropteridin-4(3h)-one

    8. Cnsa-001

    9. Ptc923

    10. 2-amino-6-(s)-lactoyl-7,8-dihydro-4(3h)-pteridinone

    11. 2-amino-6-[(2s)-2-hydroxypropanoyl]-7,8-dihydro-3h-pteridin-4-one

    12. 4(3h)-pteridinone, 2-amino-7,8-dihydro-6-((2s)-2-hydroxy-1-oxopropyl)-

    13. Unii-cjq26ko7hp

    14. 4(3h)-pteridinone, 2-amino-7,8-dihydro-6-[(2s)-2-hydroxy-1-oxopropyl]-

    15. 4(3h)-pteridinone,2-amino-7,8-dihydro-6-[(2s)-2-hydroxy-1-oxopropyl]-

    16. Sepiapterin, Solid

    17. Sepiapterin [inn]

    18. Lopac0_001123

    19. 6-lactoyl-7,8-dihydropterin

    20. Mls002153268

    21. Schembl258399

    22. Chembl1255653

    23. Dtxsid40937902

    24. Ptc-923

    25. Hms2234o10

    26. Hms3263b07

    27. Tox21_501123

    28. 2-amino-6-[(2s)-2-hydroxypropanoyl]-7,8-dihydro-1h-pteridin-4-one

    29. Who 11848

    30. Zinc17721961

    31. Akos022181294

    32. Ccg-205198

    33. Lp01123

    34. Sdccgsbi-0051091.p002

    35. Ncgc00015913-01

    36. Ncgc00094391-01

    37. Ncgc00094391-02

    38. Ncgc00094391-03

    39. Ncgc00094391-05

    40. Ncgc00261808-01

    41. Smr001230707

    42. Hy-112234

    43. Cs-0044215

    44. Eu-0101123

    45. S-154

    46. C00835

    47. Sr-01000075522

    48. Q2271580

    49. Sr-01000075522-1

    50. (s)-2-amino-6-(2-hydroxypropanoyl)-7,8-dihydropteridin-4(1h)-one

    51. (s)-2-amino-7,8-dihydro-6-(2-hydroxy-1-oxopropyl)-4(1h)-pteridinone

    52. 1-(2-amino-7,8-dihydro-4-hydroxy-6-pteridinyl)-2-hydroxy-1-propanone

    53. 2-amino-6-[(2s)-2-hydroxypropanoyl]-1,4,7,8-tetrahydropteridin-4-one

    54. 2-amino-7,8-dihydro-6-[(2s)-2-hydroxy-1-oxopropyl]-4(1h)pteridinone

    55. S(-)-2-amino-7,8-dihydro-6-(2-hydroxy-1-oxopropyl)-4(1h)-pteridione

    56. 2-amino-7,8-dihydro-6-((2s)-2-hydroxy-1-oxopropyl)-4(3h)-pteridinone

    57. 4(1h)-pteridinone, 2-amino-7,8-dihydro-6-(2-hydroxy-1-oxopropyl)-, (s)-

    2.4 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 237.22 g/mol
    Molecular Formula C9H11N5O3
    XLogP3-2
    Hydrogen Bond Donor Count4
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count2
    Exact Mass237.08618923 g/mol
    Monoisotopic Mass237.08618923 g/mol
    Topological Polar Surface Area129 Ų
    Heavy Atom Count17
    Formal Charge0
    Complexity491
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1