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COCONUT Compound

L-homoserine

CNP0287745.2 · C4H9NO3 · View on COCONUT ↗

2D Structure

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Identifiers

NameL-homoserine
IUPAC Name(2~{S})-2-amino-4-hydroxy-butanoic acid
COCONUT IDCNP0287745.2
CAS672-15-1, 119736-88-8
InChIKeyUKAUYVFTDYCKQA-VKHMYHEASA-N
InChIInChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
SMILESN[C@@H](CCO)C(=O)O

Properties

Molecular FormulaC4H9NO3
Molecular Weight119.12
Exact Mass119.05824
Log P (ALogP)-1.22
TPSA83.55
H-Bond Donors / Acceptors3 / 3
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.43
NP-likeness1.62

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 (20)

  1. 10.1007/S11306-016-1051-4
  2. 10.1007/S11306-019-1503-8
  3. 10.1016/0378-4347(91)80571-s
  4. 10.1016/J.PHYTOCHEM.2009.09.018
  5. 10.1016/J.POSTHARVBIO.2013.11.004
  6. 10.1016/S0031-9422(96)00425-6
  7. 10.1021/CB3004226
  8. 10.1021/ac1006552
  9. 10.1038/MSB.2011.65
  10. 10.1038/NBT.2488
  11. 10.1038/msb.2011.65
  12. 10.1080/00380768.2014.945390
  13. 10.1089/ind.2013.0013
  14. 10.1093/PCP/PCM173
  15. 10.1094/MPMI-19-0998
  16. 10.1111/J.1365-313X.2004.02187.X
  17. 10.1111/TPJ.12747
  18. 10.1111/tpj.12747
  19. 10.1128/JB.112.1.84-92.1972
  20. 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.