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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; Glycerol; Synthetic glycerin
Molecular Formula: C3 H8 O3
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
isomeric and canonical SMILES: C(C(CO)O)O
IUPAC: IUPAC systematic
propane-1,2,3-triol
IUPAC traditional: IUPAC cas: IUPAC openeye
glycerol
PubChem Compound (CID): 753
KEGG: Compound ID C00116
CAS Registry IDs: 29796-42-7 30049-52-6 37228-54-9 56-81-5 75398-78-6 78630-16-7 8013-25-0
PDB Chemical Component 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
Miscellaneous Databases and IDs: 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.
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