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COCONUT Compound

L-methionine

CNP0217457.1 · C5H11NO2S · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameL-methionine
IUPAC Name(2~{S})-2-amino-4-methylsulfanyl-butanoic acid
COCONUT IDCNP0217457.1
CAS63-68-3, 3654-96-4, 58576-49-1, 26062-47-5
InChIKeyFFEARJCKVFRZRR-BYPYZUCNSA-N
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/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

Papaver somniferum as “Papaver somniferum” in COCONUT
Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Ocimum basilicum as “Ocimum basilicum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Foeniculum vulgare as “Foeniculum vulgare” in COCONUT
Mentha piperita as “Mentha X piperita” in COCONUT
Daucus carota as “Daucus carota” in COCONUT
Rosmarinus officinalis as “Rosmarinus officinalis” in COCONUT
Origanum vulgare as “Origanum vulgare” in COCONUT
Gloriosa superba as “Gloriosa superba” in COCONUT
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (68)

  1. 10.1007/BF00574236
  2. 10.1007/BF00574362
  3. 10.1007/BF00574748
  4. 10.1007/BF00576124
  5. 10.1007/BF00607552
  6. 10.1007/BF02660305
  7. 10.1007/BF02666050
  8. 10.1007/S00203-004-0724-Y
  9. 10.1007/S10600-009-9452-5
  10. 10.1007/S10600-010-9710-6
  11. 10.1007/S11306-012-0464-Y
  12. 10.1007/S11306-016-1051-4
  13. 10.1007/S11306-017-1284-X
  14. 10.1007/S11306-019-1503-8
  15. 10.1016/0305-1978(86)90092-X
  16. 10.1016/0378-8741(96)01416-X
  17. 10.1016/J.FOODCHEM.2010.12.081
  18. 10.1016/J.PLAPHY.2015.04.008
  19. 10.1016/J.POSTHARVBIO.2013.11.004
  20. 10.1016/S0021-9673(01)97854-9
  21. 10.1016/S0031-9422(00)83785-1
  22. 10.1016/j.jchromb.2008.05.001
  23. 10.1021/ACSSYNBIO.8B00158
  24. 10.1021/BI00662A019
  25. 10.1021/CB3004226
  26. 10.1021/JF00011A007
  27. 10.1021/JF00017A016
  28. 10.1021/JF00055A002
  29. 10.1021/JF00093A051
  30. 10.1021/JF00102A014
  31. 10.1021/JF403441T
  32. 10.1021/JF60189A002
  33. 10.1021/JF60193A038
  34. 10.1021/JF60199A047
  35. 10.1021/JF60200A008
  36. 10.1021/JF9703314
  37. 10.1021/NP50008A001
  38. 10.1021/NP50028A028
  39. 10.1021/NP50075A009
  40. 10.1021/bi00662a019

Showing 40 of 68. See all references on COCONUT.

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.