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2D Structure
Also known as: 4857-44-7, 2-hydroxy-4-(methylthio)butyric acid calcium salt, Calcium 2-hydroxy-4-(methylthio)butyrate, Calcium bis(2-hydroxy-4-(methylthio)butyrate), Calcium hydroxymethionine, Desmeninol calcium
Molecular Formula
C10H18CaO6S2
Molecular Weight
338.5  g/mol
InChI Key
ABRVDWASZFDIEH-UHFFFAOYSA-L
FDA UNII
1VK0YS654L

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;2-hydroxy-4-methylsulfanylbutanoate
2.1.2 InChI
InChI=1S/2C5H10O3S.Ca/c2*1-9-3-2-4(6)5(7)8;/h2*4,6H,2-3H2,1H3,(H,7,8);/q;;+2/p-2
2.1.3 InChI Key
ABRVDWASZFDIEH-UHFFFAOYSA-L
2.1.4 Canonical SMILES
CSCCC(C(=O)[O-])O.CSCCC(C(=O)[O-])O.[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
1VK0YS654L
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-hydroxy-4-(methylthio)butanoate

2.3.2 Depositor-Supplied Synonyms

1. 4857-44-7

2. 2-hydroxy-4-(methylthio)butyric Acid Calcium Salt

3. Calcium 2-hydroxy-4-(methylthio)butyrate

4. Calcium Bis(2-hydroxy-4-(methylthio)butyrate)

5. Calcium Hydroxymethionine

6. Desmeninol Calcium

7. Butanoic Acid, 2-hydroxy-4-(methylthio)-, Calcium Salt (2:1)

8. 922-50-9

9. Dl-methioninehydroxyanalog Calcium

10. Oh-m

11. Calcium;2-hydroxy-4-methylsulfanylbutanoate

12. 1vk0ys654l

13. Butyric Acid, 2-hydroxy-4-(methylthio)-, Calcium Salt (2:1)

14. Methionine Hydroxy Analogue Calcium Salt

15. Calcium Bis((1)-2-hydroxy-4-(methylthio)butyrate)

16. Mfcd00042725

17. Mha

18. 2-hydroxy-4-(methylthio)butanoate

19. Nsc-1230

20. Nsc 1230

21. Einecs 225-455-4

22. Unii-1vk0ys654l

23. Methioninehydroxyanalog Calcium

24. Calcium .alpha.-hydroxy-.gamma.-methylmercaptobutyrate

25. 2-hydroxy-4-(methylthio)butanoic Acid Calcium Salt

26. Einecs 213-075-1

27. Calcium Alpha-hydroxy-gamma-methylmercaptobutyrate (van)

28. Calcium Desmeninol

29. Schembl1685415

30. Butanoic Acid, 2-hydroxy-4-(methylthio)-, Calcium Salt

31. Dtxsid80919308

32. (+/-)-desmeninol Calcium

33. Bcp11942

34. Calcium Alpha-hydroxy-dl-methionine

35. Desmeninol Calcium [who-dd]

36. Akos015856197

37. Calcium Hydroxymethionine [inci]

38. Methionine Hydroxy Analog-calcium

39. Alpha-hydroxy-dl-methionine Calcium Salt

40. Calcium2-hydroxy-4-(methylthio)butanoate

41. Hydan (methionine Hydroxy Analog)

42. 14676-91-6

43. As-19364

44. Sy036367

45. Calcium 2-hydroxy-4-(methylthio)-butyrate

46. Db-023004

47. Ft-0651898

48. H0651

49. Calcium 4-methylsulfanyl-2-oxidanyl-butanoate

50. A51087

51. A827558

52. Calcium Dl-2-hydroxy-4-methylthiobutyrate

53. 2-hydroxy-4-methylmercaptobutyric Acid Calcium Salt

54. Methionine Hydroxy Analog Calcium Salt [mi]

55. 2-hydroxy-4-(methylthio)butyricacidcalciumsalt

56. Q27252956

57. 2-hydroxy-4-(methylthio)-butanoic Acid Calcium Salt (2:1)

58. Calcium Dl-.alpha.-hydroxy-.gamma.-methylthiobutyrate

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 338.5 g/mol
Molecular Formula C10H18CaO6S2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass338.0170715 g/mol
Monoisotopic Mass338.0170715 g/mol
Topological Polar Surface Area171 Ų
Heavy Atom Count19
Formal Charge0
Complexity88.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3