Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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D-(-)-3-Phosphoglyceric Acid

D-(-)-3-Phosphoglyceric Acid synonyms

3-Phospho-D-glycerate; D-Glycerate 3-phosphate


Graphical representations:

D-(-)-3-Phosphoglyceric acid image

View large 3D structure

Molecular Formula: C3 H7 O7 P

Natural Isotopic Abundance Mass: 186.0572410000

Mono-Isotopic Molecular Masses:

  • C12N14: 185.992939089
  • C13N14: 189.003003603
  • C12N15: 185.992939089
  • C13N15: 189.003003603

InChI String: InChI=1S/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1

isomeric SMILES: C([C@H](C(=O)O)O)OP(=O)(O)O

canonical SMILES: C(C(C(=O)O)O)OP(=O)(O)O

(2R)-2-hydroxy-3-phosphonooxy-propanoic acid

PubChem Substance (SID):   85164861   3497
PubChem Compound (CID):   439183
KEGG: Compound ID   C00197
CAS Registry IDs:   n/a
PDB Chemical Component   3PG   MP3
Miscellaneous Databases and IDs:   CHEBI 17794

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,