Marvin  02260714282D          

 17 17  0  0  0  0            999 V2000
   -0.2812    2.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4332    1.2750    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1477    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4332    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1477    2.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727    3.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7977    2.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9727    2.5125    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    1.9727    1.6875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2812    0.8625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9957    1.2750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9957    2.1000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.7102    3.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7102    2.5125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4247    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7102    0.8625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2812    0.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1  4  1  0  0  0  0
 12 11  1  0  0  0  0
 11 10  1  0  0  0  0
 10  2  1  0  0  0  0
  2  4  1  0  0  0  0
  2  3  1  6  0  0  0
  4  5  1  6  0  0  0
  5  8  1  0  0  0  0
  8  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 17  1  1  0  0  0
 11 16  1  1  0  0  0
 12 14  1  1  0  0  0
 14 13  2  0  0  0  0
 14 15  1  0  0  0  0
M  END
> <ID>
CHEBI:17543

> <NAME>
1-phospho-alpha-D-galacturonic acid

> <DEFINITION>
An uronic acid phosphate that is α-D-galacturonic acid carrying a phosphate group at position 1.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:19089; CHEBI:11293; CHEBI:680

> <SYNONYM>
D-Galacturonate 1-phosphate; 1-Phospho-alpha-D-galacturonate

> <IUPAC_NAME>
1-O-phosphono-alpha-D-galactopyranuronic acid

> <FORMULA>
C6H11O10P

> <MASS>
274.11930

> <MONOISOTOPIC_MASS>
274.00898

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)/t1-,2+,3+,4-,6+/m0/s1

> <INCHIKEY>
AIQDYKMWENWVQJ-DTEWXJGMSA-N

> <REAXYS_REGISTRY_NUMBER>
22719055

> <KEGG_COMPOUND_ACCESSION>
C04037

> <PUBMED_CITATION>
14479161

$$$$