Biological Magnetic Resonance Data Bank

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


Graphical representations:


View large 3D structure

Molecular Formula: C3H8O3

Natural Isotopic Abundance Mass: 92.0938200000

Mono-Isotopic Molecular Masses:

  • C12N14: 92.0473441231
  • C13N14: 95.0574086365
  • C12N15: 92.0473441231
  • C13N15: 95.0574086365

InChI string: InChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2

IUPAC: propane-1,2,3-triol

PubChem Compound (CID): 753
KEGG Compound ID: C00116
CAS Registry number: 29796-42-7 30049-52-6 37228-54-9 56-81-5 75398-78-6 78630-16-7 8013-25-0
ChEBI: 17754
FEMA No.: 2525
CCRIS: 2295
NSC: 9230
EINECS: 200-289-5
Beilstein Handbook Reference: 4-01-00-02751
HSDB: 492

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (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,