Vitamin B-12 C-Lactam; Dehydrovitamin B12; Lactam-cobalamin; 8-Hydroxycobinamide Cyanide Hydroxide Dihydrogen Phosphate (Ester) Inner Salt Nc,8-lactam 3'-Ester with 5,6-dimethyl-1-a-D-ribofuranosylbenzimidazole; 8-Aminocobinic Acid-abdeg-pentamide Cyanide ?-lactam Dihydrogen Phosphate (Ester) Inner Salt, 3'-Ester with 5,6-Dimethyl-1-a-D-ribofuranosyl-1H-benzimidazole

化合物标识与属性

CAS

23388-02-5

PubChem CID

169447715

SMILES

CC1=CC2=C(C=C1C)N(C=N2)[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(=C7C8(CC(=O)NC8(C(=N7)C=C9C([C@@H](C(=N9)C(=C4[N-]5)C)CCC(=O)N)(C)C)CCC(=O)N)C)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[C-]#N.[Co+3]

Canonical SMILES

CC1=C2N=C(C=C3N=C(C(C)=C4[N-][C@H]([C@H](CC(N)=O)[C@@]4(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]4[C@@H](O)[C@@H](n5cnc6cc(C)c(C)cc65)O[C@@H]4CO)[C@]4(C)N=C1[C@@H](CCC(N)=O)[C@]4(C)CC(N)=O)[C@@H](CCC(N)=O)C3(C)C)C1(CCC(N)=O)NC(=O)CC21C.[C-]#N.[Co+3]