Primary Record
cobalamin
- In stock
- 8,576 g
- Purity
- 99.7 %
- CAS
- 68-19-9
Compound Identifiers & Properties
- CAS
- 68-19-9
- PubChem CID
- 145875202
- 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](C5[C@]6([C@@]([C@@H](C(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](/C(=C(/C4=N5)\C)/[N-]8)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.[C-]#N.[Co+3]
- Canonical SMILES
- C/C1=C2/[N-]/C(=C\C3=N/C(=C(/C)C4=N[C@@](C)(C5N=C1[C@](C)(CCC(=O)NC[C@@H](C)OP(=O)([O-])O[C@H]1[C@@H](O)[C@@H](n6cnc7cc(C)c(C)cc76)O[C@@H]1CO)[C@H]5CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O.[C-]#N.[Co+3]
Names & Synonyms
- cobalamin
- vitamin B12
- AKOS040732488
- 68-19-9