Marvin  12050714042D          

 13 13  0  0  0  0            999 V2000
    0.0000    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2 12  1  1  0  0  0
  3  1  1  0  0  0  0
  3  7  1  6  0  0  0
  4  8  1  1  0  0  0
  3  5  1  0  0  0  0
  5  4  1  0  0  0  0
  5  9  1  6  0  0  0
  4  6  1  0  0  0  0
  6  2  1  0  0  0  0
  6 10  1  6  0  0  0
 12 11  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
> <ID>
CHEBI:42717

> <NAME>
alpha-D-glucuronic acid

> <DEFINITION>
A D-glucopyranuronic acid in which the anomeric centre has α-configuration.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:35182; CHEBI:42714

> <SYNONYM>
GlcAalpha; GlcAa; D-GLUCURONIC ACID; alpha-D-glucopyranuronic acid

> <IUPAC_NAME>
alpha-D-glucopyranuronic acid; (2S,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-carboxylic acid

> <FORMULA>
C6H10O7

> <MASS>
194.13940

> <MONOISOTOPIC_MASS>
194.04265

> <CHARGE>
0

> <SMILES>
O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O

> <INCHI>
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4-,6-/m0/s1

> <INCHIKEY>
AEMOLEFTQBMNLQ-WAXACMCWSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
1285548

> <GMELIN_REGISTRY_NUMBER>
397419

> <REAXYS_REGISTRY_NUMBER>
1285548

> <DRUGBANK_ACCESSION>
DB03156

> <PDBECHEM_ACCESSION>
GCU

> <PUBMED_CITATION>
19443021; 22770225; 25568069; 31537530

$$$$