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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Trihydroxypropane; Osmoglyn; 1,2,3-Trihydroxypropane; Clyzerin, wasserfrei [German]; Dagralax; Glysanin; 1,2,3-Propanetriol; Vitrosupos; Glycerin mist; Glycerol; Synthetic glycerin
Molecular Formula: C3 H8 O3
Natural Isotopic Abundance Mass: 92.0938200000
Mono-Isotopic Molecular Masses:
InChI String: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
isomeric and canonical SMILES: C(C(CO)O)O
IUPAC: IUPAC systematic
propane-1,2,3-triol
IUPAC traditional: IUPAC cas: IUPAC openeye
glycerol
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