|
Menu

COCONUT Compound

L-threonic acid

CNP0144827.2 · C4H8O5 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NameL-threonic acid
IUPAC Name(2~{R},3~{S})-2,3,4-trihydroxybutanoic acid
COCONUT IDCNP0144827.2
CAS7306-96-9
InChIKeyJPIJQSOTBSSVTP-STHAYSLISA-N
InChIInChI=1S/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)/t2-,3+/m0/s1
SMILESO=C(O)[C@H](O)[C@@H](O)CO

Properties

Molecular FormulaC4H8O5
Molecular Weight136.10
Exact Mass136.03717
Log P (ALogP)-2.21
TPSA97.99
H-Bond Donors / Acceptors4 / 4
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.35
NP-likeness1.66

Classification

NP PathwayCarbohydrates
NP SuperclassFatty Acids and Conjugates
NP ClassHydroxy fatty acids
Chemical SuperclassOrganic acids and derivatives
Chemical ClassHydroxy acids and derivatives
Chemical SubclassBeta hydroxy acids and derivatives

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Arabidopsis thaliana as “Arabidopsis thaliana” in COCONUT

References (9)

  1. 10.1007/S11306-016-1051-4
  2. 10.1016/J.ENVINT.2009.12.006
  3. 10.1016/J.JPLPH.2018.10.006
  4. 10.1016/J.PHYTOCHEM.2007.07.001
  5. 10.1016/j.phytochem.2007.07.001
  6. 10.1021/JF400428T
  7. 10.1038/NBT.2488
  8. 10.1111/TPJ.12747
  9. 10.1111/tpj.12747

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.