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COCONUT Compound

L-cystine

CNP0156303.1 · C6H12N2O4S2 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameL-cystine
IUPAC Name(2~{R})-2-amino-3-[[(2~{R})-2-amino-2-carboxy-ethyl]disulfanyl]propanoic acid
COCONUT IDCNP0156303.1
CAS56-89-3, 24645-67-8
InChIKeyLEVWYRKDKASIDU-IMJSIDKUSA-N
InChIInChI=1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
SMILESN[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O

Properties

Molecular FormulaC6H12N2O4S2
Molecular Weight240.31
Exact Mass240.02385
Log P (ALogP)-0.81
TPSA126.64
H-Bond Donors / Acceptors4 / 6
Rotatable Bonds7
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.34
NP-likeness0.72

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
Ocimum basilicum as “Ocimum basilicum” 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
Canabis Sativa as “Cannabis sativa” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT
Solanum lycopersicum as “Solanum lycopersicum” in COCONUT

References (24)

  1. 10.1007/BF00575075
  2. 10.1007/BF00576124
  3. 10.1007/S11306-016-1051-4
  4. 10.1016/0031-9422(89)80087-1
  5. 10.1016/0378-8741(96)01416-X
  6. 10.1016/J.FOODCHEM.2010.12.081
  7. 10.1016/J.FOODCHEM.2019.125649
  8. 10.1021/BI00298A025
  9. 10.1021/JF00093A051
  10. 10.1021/JF00102A014
  11. 10.1021/JF60199A047
  12. 10.1021/JF60200A008
  13. 10.1021/NP50008A001
  14. 10.1021/ac900166a
  15. 10.1038/NBT.2488
  16. 10.1038/nbt.2488
  17. 10.1055/S-0028-1097736
  18. 10.1055/S-0028-1100051
  19. 10.1089/ind.2013.0013
  20. 10.1111/J.1365-2621.1985.TB10514.X
  21. 10.1111/J.1365-2621.1987.TB13989.X
  22. 10.3390/METABO4030599
  23. 10.3390/nu11061242
  24. 10.5219/332

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.