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COCONUT Compound

Pyruvic acid

CNP0269827.0 · C3H4O3 · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

NamePyruvic acid
IUPAC Name2-oxopropanoic acid
COCONUT IDCNP0269827.0
CAS127-17-3
InChIKeyLCTONWCANYUPML-UHFFFAOYSA-N
InChIInChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
SMILESCC(=O)C(=O)O

Properties

Molecular FormulaC3H4O3
Molecular Weight88.06
Exact Mass88.01604
Log P (ALogP)-0.34
TPSA54.37
H-Bond Donors / Acceptors1 / 2
Rotatable Bonds1
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.45
NP-likeness0.61

Classification

NP PathwayFatty acids
NP SuperclassFatty Acids and Conjugates
NP ClassOxo fatty acids
Chemical SuperclassOrganic acids and derivatives
Chemical ClassKeto acids and derivatives
Chemical SubclassAlpha-keto acids and derivatives

Reported in GR-MAPs Plants

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

References (41)

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  2. 10.1002/JSSC.200800469
  3. 10.1002/anie.201903500
  4. 10.1002/jobm.3630150802
  5. 10.1002/nbm.944
  6. 10.1007/BF02002793
  7. 10.1007/BF02879004
  8. 10.1007/S00344-018-9847-2
  9. 10.1007/S10529-011-0842-Y
  10. 10.1007/S11306-012-0464-Y
  11. 10.1007/S11306-016-1051-4
  12. 10.1016/0031-9422(75)83096-2
  13. 10.1016/0031-9422(96)00146-X
  14. 10.1016/0378-4347(91)80571-s
  15. 10.1016/J.CES.2016.06.004
  16. 10.1016/J.FOODCHEM.2019.125649
  17. 10.1016/J.MITO.2014.12.004
  18. 10.1016/J.PHYTOCHEM.2007.07.001
  19. 10.1016/S0021-9258(20)82117-6
  20. 10.1016/j.ces.2016.06.004
  21. 10.1016/j.foodres.2017.10.005
  22. 10.1021/JF403441T
  23. 10.1021/JF902661G
  24. 10.1038/157512A0
  25. 10.1038/NBT.2488
  26. 10.1038/msb.2012.21
  27. 10.1038/nbt.2488
  28. 10.1042/BJ0590228
  29. 10.1089/ind.2013.0013
  30. 10.1093/pcp/pcn183
  31. 10.1094/MPMI-19-0998
  32. 10.1111/J.1365-313X.2004.02187.X
  33. 10.1111/J.1742-4658.2005.04567.X
  34. 10.1111/j.1399-3038.2012.01286.x
  35. 10.1139/M84-158
  36. 10.1139/m84-158
  37. 10.1186/1742-4682-2-18
  38. 10.1371/journal.pone.0016957
  39. 10.17660/ACTAHORTIC.2010.851.77
  40. 10.3389/FMOLB.2018.00096

Showing 40 of 41. 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.