BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

DL-alpha-Glycerol Phosphate

Graphical representations:

DL-alpha-Glycerol phosphate image

View large 3D structure

Molecular Formula: C3 H9 O6 P

Natural Isotopic Abundance Mass: 172.0737210000

Mono-Isotopic Molecular Masses:

  • C12N14: 172.013674532
  • C13N14: 175.023739045
  • C12N15: 172.013674532
  • C13N15: 175.023739045

InChI String: InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m0/s1

isomeric and canonical SMILES: C(C(COP(=O)(O)O)O)O

IUPAC: IUPAC cas: IUPAC openeye: IUPAC systematic
2,3-dihydroxypropoxyphosphonic acid

IUPAC traditional
glyceryloxyphosphonic acid

PubChem Substance (SID):   85165012   148805   3393
PubChem Compound (CID):   754   439162
KEGG: Compound ID   C00093
CAS Registry IDs:   57-03-4   626-73-3   927-20-8
PDB Chemical Component   1GP   G3P   GP9
Miscellaneous Databases and IDs:   CHEBI 15978   NSC 9231   EINECS 200-307-1

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, https://www.nature.com/articles/sdata201773