(Q725037)

Calcium inosinate (English)

14 October 2016

chemical formula

C₁₀H₁₁CaN₄O₈P

1 reference

Calcium inosinate (English)

14 October 2016

canonical SMILES

C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Ca+2]

1 reference

Calcium inosinate (English)

14 October 2016

isomeric SMILES

C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O.[Ca+2]

1 reference

Calcium inosinate (English)

InChI=1S/C10H13N4O8P.Ca/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17;/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20);/q;+2/p-2/t4-,6-,7-,10-;/m1./s1

14 October 2016

Identifiers

InChI

1 reference

Calcium inosinate (English)

14 October 2016

1 reference

Global Substance Registration System

Calcium inosinate (English)

14 October 2016

1 reference

UNII

DE2I245H9C

calcium 5'-inosinate (English)

14 October 2016

1 reference

Calcium 5'-O-phosphonatoinosine (English)

14 October 2016

1 reference

Calcium inosinate (English)

14 October 2016

135565141

1 reference

170847601

1 reference

SureChEMBL ID

SCHEMBL1030880

2 references

based on heuristic

inferred from InChIKey

SCHEMBL1030877

2 references

based on heuristic

inferred from InChIKey

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTox substance ID

DTXSID00628642

2 references

stated in

DSSTOX compound identifier

0 references

0 references

2 references

Global Substance Registration System

UNII

DE2I245H9C

calcium 5'-inosinate (English)

14 October 2016