Cobinamide, cyanide, dihydrogen phosphate (ester), inner salt, 3'-ester with 7-alpha-D-ribofuranosyl-7H-purin-6-amine

化合物标识与属性

CAS

13408-75-8

PubChem CID

138756686

SMILES

C/C/1=C/2\[C@@]([C@@H](C(=N2)/C=C\3/C([C@@H](C(=N3)/C(=C\4/[C@]([C@H]([C@@H]([N-]4)[C@]5([C@@]([C@@H](C1=N5)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NC[C@H](C)OP(=O)([O-])O[C@@H]6[C@H](O[C@@H]([C@@H]6O)N7C=NC8=NC=NC(=C87)N)CO)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N.[C-]#N.[Co+2]

Canonical SMILES

C/C1=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](n3cnc4ncnc(N)c43)O[C@@H]2CO)[C@]2(C)N=C(/C(C)=C3\N=C(/C=C4\N=C1[C@@H](CCC(N)=O)C4(C)C)[C@@H](CCC(N)=O)[C@]3(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.[C-]#N.[Co+2]