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COCONUT Compound

L-Hydroxyproline

CNP0368925.1 · C5H9NO3 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameL-Hydroxyproline
IUPAC Name(2~{S},4~{R})-4-hydroxypyrrolidine-2-carboxylic acid
COCONUT IDCNP0368925.1
CAS51-35-4, 618-28-0, 147028-80-6, 6912-67-0
InChIKeyPMMYEEVYMWASQN-DMTCNVIQSA-N
InChIInChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4+/m1/s1
SMILESO=C(O)[C@@H]1C[C@@H](O)CN1

Properties

Molecular FormulaC5H9NO3
Molecular Weight131.13
Exact Mass131.05824
Log P (ALogP)-1.21
TPSA69.56
H-Bond Donors / Acceptors3 / 3
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.42
NP-likeness1.41

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

Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (21)

  1. 10.1002/ELPS.201300646
  2. 10.1007/BF00381261
  3. 10.1007/S11306-012-0464-Y
  4. 10.1007/S11306-016-1051-4
  5. 10.1016/0006-291x(84)91411-6
  6. 10.1016/J.PHYTOCHEM.2009.09.018
  7. 10.1016/J.PLAPHY.2015.04.008
  8. 10.1016/J.POSTHARVBIO.2013.11.004
  9. 10.1016/S0031-9422(00)89694-6
  10. 10.1021/AC2001109
  11. 10.1021/CB3004226
  12. 10.1021/JF00017A016
  13. 10.1038/NBT.2488
  14. 10.1074/JBC.M411109200
  15. 10.1080/00380768.2014.945390
  16. 10.1093/PCP/PCM173
  17. 10.1104/PP.69.2.522
  18. 10.1111/J.1365-313X.2004.02187.X
  19. 10.1155/2017/2840718
  20. 10.3389/FMOLB.2018.00069
  21. 10.3390/METABO4030599

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.