Chemical Compound

cobalamin

cobalamin chemical structure
Primary Record

cobalamin

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
44468181
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(=C5[C@]6([C@@](C(=C([N-]6)/C(=C\7/[C@@]([C@@H](C([N-]7)/C=C\8/C(C(=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(=C(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(CCC(N)=O)[C@]2(C)CC(N)=O)/C(C)=C2\[N-]C(/C=C3\[N-]C1=C(CCC(N)=O)C3(C)C)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.[Co]

Names & Synonyms

  • cobalamin
  • B12