Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2,3-Diphospho-D-glyceric Acid

2,3-Diphospho-D-glyceric Acid synonyms

2,3-Bisphospho-D-glycerate; D-Greenwald ester; DPG; 2,3-Disphospho-D-glycerate


Graphical representations:

2,3-Diphospho-D-glyceric acid image

View large 3D structure

Molecular Formula: C3 H8 O10 P2

Natural Isotopic Abundance Mass: 266.0371420000

Mono-Isotopic Molecular Masses:

  • C12N14: 265.959269498
  • C13N14: 268.969334011
  • C12N15: 265.959269498
  • C13N15: 268.969334011

InChI String: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1

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

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

IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye: IUPAC systematic
(2R)-2,3-diphosphonooxypropanoic acid

PubChem Substance (SID):   85164856   4387
PubChem Compound (CID):   186004
KEGG: Compound ID   C01159
CAS Registry IDs:   n/a
PDB Chemical Component   DG2
Miscellaneous Databases and IDs:   CHEBI 17720

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,