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COCONUT Compound

D-Methionine

CNP0217457.2 · C5H11NO2S · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameD-Methionine
IUPAC Name(2~{R})-2-amino-4-methylsulfanyl-butanoic acid
COCONUT IDCNP0217457.2
CAS348-67-4
InChIKeyFFEARJCKVFRZRR-SCSAIBSYSA-N
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
SMILESCSCC[C@@H](N)C(=O)O

Properties

Molecular FormulaC5H11NO2S
Molecular Weight149.22
Exact Mass149.05105
Log P (ALogP)0.15
TPSA63.32
H-Bond Donors / Acceptors2 / 3
Rotatable Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.60
NP-likeness0.34

Classification

NP PathwayAmino acids and Peptides
NP SuperclassSmall peptides
NP ClassAminoacids
Chemical SuperclassOrganic acids and derivatives
Chemical ClassCarboxylic acids and derivatives
Chemical SubclassAmino acids, peptides, and analogues

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Gloriosa superba as “Gloriosa superba” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (40)

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  8. 10.1007/s00203-004-0724-y
  9. 10.1016/0305-1978(86)90092-X
  10. 10.1016/0378-8741(96)01416-X
  11. 10.1016/S0021-9673(01)97854-9
  12. 10.1016/S0031-9422(00)80544-0
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  20. 10.1021/JF60189A002
  21. 10.1021/JF60199A047
  22. 10.1021/JF60200A008
  23. 10.1021/NP50008A001
  24. 10.1021/NP50028A028
  25. 10.1021/NP50075A009
  26. 10.1034/J.1399-3054.1990.790104.X
  27. 10.1038/MSB.2011.65
  28. 10.1038/msb.2011.65
  29. 10.1055/S-1999-14037
  30. 10.1111/J.1365-2621.1985.TB10514.X
  31. 10.1111/J.1365-2621.1987.TB13989.X
  32. 10.1128/JB.129.1.207-216.1977
  33. 10.1128/jb.129.1.207-216.1977
  34. 10.1177/004051757504500511
  35. 10.1248/YAKUSHI1947.107.4_279
  36. 10.1271/BBB.58.108
  37. 10.18785/GRR.0602.07
  38. 10.29296/25877313-2018-06-01
  39. 10.4197/SCI.16-1.4
  40. 10.4268/CJCMM20120313

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.