RefMet Compound Details
MW structure | 78592 (View MW Metabolite Database details) | |
---|---|---|
RefMet name | NAADP | |
Systematic name | 1-[(2S,3S,4R,5S)-5-[[[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyridin-1-ium-3-carboxylate | |
SMILES | c1cc(c[n+](c1)[C@@H]1[C@H]([C@H]([C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@H](n3cnc4c(N)ncnc34)O2)OP(=O)(O)O)O)O1)O)O)C(=O)O Run Tanimoto similarity search (with similarity coefficient >=0.6) | |
Exact mass | 745.067303 (neutral) |