Marvin  03300610112D          

 13  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.1750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125   -2.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7969   -2.2135    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1750    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.4125    2.7145    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7145    2.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0000    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7969    2.2135    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9046    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
   -1.9046    0.0000    0.0000 Ca  0  2  0  0  0  0  0  0  0  0  0  0
  5  2  1  0  0  0  0
  5  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  6  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10 11  1  0  0  0  0
 10  7  1  0  0  0  0
M  CHG  8   1   2   2  -1   3  -1   6  -1   7  -1   8  -1  11  -1  12   2
M  CHG  1  13   2
M  END
> <ID>
CHEBI:9679

> <NAME>
tricalcium bis(phosphate)

> <STAR>
3

> <SYNONYM>
Tricalcium phosphate; tricalcium orthophosphate; tricalcium diphosphate; tribasic calcium phosphate; tertiary calcium phosphate; Synthos; Calcium phosphate tribasic; calcium phosphate; calcium orthophosphate; Calcigenol Simple; Ca3(PO4)2

> <IUPAC_NAME>
tricalcium bis(phosphate)

> <FORMULA>
Ca3O8P2

> <MASS>
310.17672

> <MONOISOTOPIC_MASS>
309.79461

> <CHARGE>
0

> <SMILES>
[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O

> <INCHI>
InChI=1S/3Ca.2H3O4P/c;;;2*1-5(2,3)4/h;;;2*(H3,1,2,3,4)/q3*+2;;/p-6

> <INCHIKEY>
QORWJWZARLRLPR-UHFFFAOYSA-H

> <CAS_REGISTRY_NUMBER>
7758-87-4

> <CHEMIDPLUS>
7758-87-4

> <KEGG_COMPOUND_ACCESSION>
C08136

> <KEGG_DRUG_ACCESSION>
D00938

> <WIKIPEDIA_ACCESSION>
Calcium_phosphate

$$$$