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COCONUT Compound

3-phosphoglyceric acid

CNP0302270.2 · C3H7O7P · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Name3-phosphoglyceric acid
IUPAC Name(2~{S})-2-hydroxy-3-phosphonooxy-propanoic acid
COCONUT IDCNP0302270.2
InChIKeyOSJPPGNTCRNQQC-REOHCLBHSA-N
InChIInChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m0/s1
SMILESO=C(O)[C@@H](O)COP(=O)(O)O

Properties

Molecular FormulaC3H7O7P
Molecular Weight186.06
Exact Mass185.99294
Log P (ALogP)-1.46
TPSA124.29
H-Bond Donors / Acceptors4 / 4
Rotatable Bonds4
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.40
NP-likeness1.48

Classification

NP Pathway
NP Superclass
NP Class
Chemical SuperclassOrganic oxygen compounds
Chemical ClassOrganooxygen compounds
Chemical SubclassCarbohydrates and carbohydrate conjugates

Reported in GR-MAPs Plants

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

References (8)

  1. 10.1006/ABIO.2001.5183
  2. 10.1016/J.PHYTOCHEM.2009.09.018
  3. 10.1016/J.POSTHARVBIO.2013.11.004
  4. 10.1016/J.YMBEN.2010.04.003
  5. 10.1094/MPMI-19-0998
  6. 10.1111/J.1365-313X.2004.02187.X
  7. 10.1186/S12870-015-0546-X
  8. 10.1371/JOURNAL.PONE.0133899

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.