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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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Glycerol
Glycerol synonyms
Trihydroxypropane; Osmoglyn; 1,2,3-Trihydroxypropane; Clyzerin, wasserfrei [German]; Dagralax; Glysanin; 1,2,3-Propanetriol; Vitrosupos; Glycerin mist; Synthetic glycerin; 90 Technical glycerine
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=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
IUPAC: propane-1,2,3-triol
PubChem Compound (CID): 753KEGG 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
PDB Compound ID: CRY GOL ARG ARG_LFOH ARG_LFOH_DHH12 ARG_LFOH_DHH22 ARG_LFOH_RNH1 ARG_LFZW ARG_LFZW_DHH12 ARG_LFZW_DHH22 ARG_LFZW_RNH1 DAR GND
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, https://www.nature.com/articles/sdata201773)