Chemical Compound

cobalamin

cobalamin chemical structure
Primary Record

cobalamin

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
9543430
SMILES
CC1=CC2=C(C=C1C)[N+](=C[N-]2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)O[C@H](C)C=NC(=O)CC[C@@]\4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C([N-]6)/C(=C\7/[C@@]([C@@H](C([N-]7)/C=C\8/C([C@@H](C([N-]8)/C(=C4\[N-]5)/C)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)/C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[Co]
Canonical SMILES
C/C1=C2/[N-][C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=O)N=C[C@@H](C)OP(=O)(O)O[C@H]2[C@@H](O)[C@@H]([n+]3c[n-]c4cc(C)c(C)cc43)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.[Co]

Names & Synonyms

  • cobalamin
  • B12