Primary Record
Aquacobalamin
- In stock
- 6,384 g
- Purity
- 98.3 %
- CAS
- 13422-52-1
Compound Identifiers & Properties
- CAS
- 13422-52-1
- PubChem CID
- 70678529
- 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(=N6)/C(=C\7/[C@@]([C@@H](C(=N7)/C=C\8/C([C@@H](C(=N8)/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.[OH3+].[Co]
- 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](n3cnc4cc(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].[OH3+]
Names & Synonyms
- Aquacobalamin
- Aquocobalamin
- Aquacob(III)alamin
- vitamin B-12a
- B12b
- CHEBI:15852
- C62H90CoN13O15P.HO
- EINECS 236-534-8
- C62-H90-Co-N13-O15-P.H-O
- 13422-52-1
- Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-aquacobamide
- Cobinamide, dihydroxide, monohydrate, dihydrogen phosphate (ester), mono(inner salt), 3'-ester with 5,6-dimethyl-1-.alpha.-D-ribofuranosyl-1H-benzimidazole