Chemical Compound

cyanocobalamin

Primary Record

Compound Identifiers & Properties

PubChem CID: 166596686
SMILES: CC1=CC2=C(C=C1C)[N+](=CN2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](/C(=C/C8=N/C(=C(\C4=N5)/C)/[C@H](C8(C)C)CCC(=N)[O-])/N7)CCC(=N)[O-])(C)CC(=O)N)/C)CCC(=N)[O-])(C)CC(=O)N)C)CC(=O)N)C)O.[C]#N.[Co+2]
Canonical SMILES: C/C1=C2/N=C(/C=C3\N/C(=C(/C)C4=N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@H]1[C@@H](O)[C@@H]([n+]6c[nH]c7cc(C)c(C)cc76)O[C@@H]1CO)[C@H]5CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(=N)[O-])[C@@](C)(CC(N)=O)[C@@H]3CCC(=N)[O-])C(C)(C)[C@@H]2CCC(=N)[O-].[C]#N.[Co+2]