Cyanocobalamin Impurity F; Vitamin B12 c-lactone; 7ss,8ss-Lactocyanocobalamin;7b,8b-Lactocyanocobalamin; Coa-[a-(5,6-dimethylbenzimidazolyl)]-Coss-cyano-8ss-hydroxycobamic a,b,d,e,g-pentaamide c,8-?-lactone; Cyanocobalamin 7ss,8ss-lactone

化合物标识与属性

CAS

23208-66-4

PubChem CID

169447717

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(=C7[C@]8(CC(=O)O[C@]8(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=C2[N-][C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]2[C@@H](O)[C@@H](n3cnc4cc(C)c(C)cc43)O[C@@H]2CO)[C@]2(C)N=C(C(C)=C3N=C(C=C4N=C1[C@@H](CCC(N)=O)C4(C)C)[C@]1(CCC(N)=O)OC(=O)C[C@]31C)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.[C-]#N.[Co+3]