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COCONUT Compound

L-cysteine

CNP0280490.1 · C3H7NO2S · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameL-cysteine
IUPAC Name(2~{R})-2-amino-3-sulfanyl-propanoic acid
COCONUT IDCNP0280490.1
CAS52-90-4, 4371-52-2, 345909-32-2 (.xH2O)
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
SMILESN[C@@H](CS)C(=O)O

Properties

Molecular FormulaC3H7NO2S
Molecular Weight121.16
Exact Mass121.01975
Log P (ALogP)-0.67
TPSA63.32
H-Bond Donors / Acceptors3 / 3
Rotatable Bonds2
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.42
NP-likeness1.14

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
Oryza sativa as “Oryza sativa” in COCONUT
Gossypium hirsutum as “Gossypium hirsutum” in COCONUT

References (43)

  1. 10.1002/nbm.1345
  2. 10.1006/ABBI.1995.1077
  3. 10.1007/BF00574236
  4. 10.1007/BF00574748
  5. 10.1007/BF00607552
  6. 10.1007/BF00633415
  7. 10.1007/BF02660305
  8. 10.1007/BF02666050
  9. 10.1007/S11306-016-1051-4
  10. 10.1016/0378-4347(91)80571-s
  11. 10.1016/J.ENVINT.2009.12.006
  12. 10.1016/J.IJFOODMICRO.2013.03.002
  13. 10.1016/J.PLAPHY.2018.04.029
  14. 10.1016/J.POSTHARVBIO.2013.11.004
  15. 10.1016/S0031-9422(00)83785-1
  16. 10.1016/j.cccn.2003.07.019
  17. 10.1021/BI00298A025
  18. 10.1021/CB3004226
  19. 10.1021/JF00011A007
  20. 10.1021/JF00017A016
  21. 10.1021/JF60189A002
  22. 10.1021/JF60193A038
  23. 10.1021/JF60216A022
  24. 10.1021/PR5006394
  25. 10.1021/np990204x
  26. 10.1038/MSB.2011.65
  27. 10.1038/NBT.2488
  28. 10.1038/msb.2011.65
  29. 10.1038/nbt.2488
  30. 10.1055/S-2006-960880
  31. 10.1055/S-2006-961491
  32. 10.1071/fp10080
  33. 10.1074/JBC.C100033200
  34. 10.1089/ind.2013.0013
  35. 10.1093/MP/SST168
  36. 10.1093/PCP/PCM173
  37. 10.1111/J.1365-313X.2004.02187.X
  38. 10.1111/TPJ.12747
  39. 10.1128/AEM.07699-11
  40. 10.1271/BBB.58.108

Showing 40 of 43. 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.