Marvin  01250809042D          

  6  5  0  0  0  0            999 V2000
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  1  1  0  0  0  0
  6  3  1  0  0  0  0
M  END
> <ID>
CHEBI:17754

> <NAME>
glycerol

> <DEFINITION>
A triol with a structure of propane substituted at positions 1, 2 and 3 by hydroxy groups.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:42998; CHEBI:131422; CHEBI:5448; CHEBI:14334; CHEBI:24351

> <SYNONYM>
Trihydroxypropane; Propanetriol; Oelsuess; Gro; Glyzerin; glycyl alcohol; glycerol; glycerol; GLYCEROL; Glycerol; Glyceritol; glycerine; Glycerin; 1,2,3-Trihydroxypropane; 1,2,3-Propanetriol

> <IUPAC_NAME>
propane-1,2,3-triol

> <INN>
glycerolum; glycerol

> <FORMULA>
C3H8O3

> <MASS>
92.09382

> <MONOISOTOPIC_MASS>
92.04734

> <CHARGE>
0

> <SMILES>
OCC(O)CO

> <INCHI>
InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2

> <INCHIKEY>
PEDCQBHIVMGVHV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
635685

> <CAS_REGISTRY_NUMBER>
56-81-5

> <GMELIN_REGISTRY_NUMBER>
26279

> <REAXYS_REGISTRY_NUMBER>
635685

> <CHEMIDPLUS>
56-81-5

> <DRUGBANK_ACCESSION>
DB04077

> <ECMDB_ACCESSION>
ECMDB00131

> <KEGG_COMPOUND_ACCESSION>
C00116

> <KEGG_DRUG_ACCESSION>
D00028

> <KNAPSACK_ACCESSION>
C00001163

> <LINCS_ACCESSION>
LSM-37180

> <METACYC_ACCESSION>
GLYCEROL

> <NIST_CHEMISTRY_WEBBOOK>
56-81-5

> <PDB_ACCESSION>
2D03

> <PDBECHEM_ACCESSION>
GOL

> <WIKIPEDIA_ACCESSION>
Glycerol

> <YMDB_ACCESSION>
YMDB00283

> <PUBMED_CITATION>
11302662; 11958517; 11994365; 12687625; 12689633; 12713573; 14559393; 14563847; 15026783; 15342117; 15786693; 15983192; 16244855; 16258193; 16319039; 16349488; 16475911; 16651733; 16664750; 16901854; 17336832; 17439666; 17979222; 19184438; 19231894; 19460032; 19548674; 19795216; 19956799; 22705534; 23562176; 23747440; 24643482; 24835191; 25108762; 558160; 6299616; 12672239; 7031247; 7392035

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