Marvin  01120612452D          

  1  0  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
M  CHG  1   1   2
M  END
> <ID>
CHEBI:29108

> <NAME>
calcium(2+)

> <STAR>
3

> <SECONDARY_ID>
CHEBI:3308; CHEBI:22988; CHEBI:48760

> <SYNONYM>
calcium, doubly charged positive ion; CALCIUM ION; Ca(2+); Ca2+; Ca(2+)

> <IUPAC_NAME>
calcium(2+) ion; calcium(2+); calcium(II) cation

> <FORMULA>
Ca

> <MASS>
40.07800

> <MONOISOTOPIC_MASS>
39.96149

> <CHARGE>
2

> <SMILES>
[Ca++]

> <INCHI>
InChI=1S/Ca/q+2

> <INCHIKEY>
BHPQYMZQTOCNFJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
14127-61-8

> <GMELIN_REGISTRY_NUMBER>
6850

> <CHEMIDPLUS>
14127-61-8

> <KEGG_COMPOUND_ACCESSION>
C00076

> <NIST_CHEMISTRY_WEBBOOK>
14127-61-8

> <PDBECHEM_ACCESSION>
CA

$$$$