Chemical Compound

cobalamin

cobalamin chemical structure
Primary Record

cobalamin

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
78673856
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([N-]6)/C(=C\7/[C@@]([C@@H](/C(=C/C8C([C@@H](/C(=C(/C4[N-]5)\C)/[N-]8)CCC(=O)N)(C)C)/[N-]7)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\C3[N-]/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)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O.[Co]

Names & Synonyms

  • cobalamin
  • B12