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Chemistry

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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

Sepiapterin

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 Formula	C₉H₁₁N₅O₃
Molecular Weight	237.22 g/mol
XLogP3	-2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	237.08618923 g/mol
Monoisotopic Mass	237.08618923 g/mol
Topological Polar Surface Area	129 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	491
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1