Primary Record
5'-Deoxyadenosylcob
- In stock
- 9,246 g
- Purity
- 98.3 %
- CAS
- 13870-90-1
Compound Identifiers & Properties
- CAS
- 13870-90-1
- PubChem CID
- 163199009
- SMILES
- CC1=CC2=C(C=C1C)N(C=N2)C3[C@@H]([C@H](C(O3)CO)OP(=O)(CC(C)NC(=O)CCCC4(C(C5C6C(C(/C(=C(/C7=[C-]/C(=C\C8=N/C(=C(\C4=N5)/C)/C(C8(C)C)CCC(=O)N)/C(C7(C)CC(=O)N)CCC(=O)N)\C)/[N-]6)CCC(=O)N)(C)CC(=O)N)CC(=O)N)C)[O-])O.C[C@]1([C@](C([C@](O1)(C)N2C=NC3=C(N=CN=C32)N)(C)O)(C)O)C=[CH-].[Co]
- Canonical SMILES
- C/C1=C2/N=C(/C=C3\[C-]=C(/C(C)=C4\[N-]C(C5N=C1C(C)(CCCC(=O)NC(C)CP(=O)([O-])O[C@H]1C(CO)OC(n6cnc7cc(C)c(C)cc76)[C@@H]1O)C5CC(N)=O)C(C)(CC(N)=O)C4CCC(N)=O)C(C)(CC(N)=O)C3CCC(N)=O)C(C)(C)C2CCC(N)=O.[CH-]=C[C@@]1(C)O[C@@](C)(n2cnc3c(N)ncnc32)C(C)(O)[C@@]1(C)O.[Co]
Names & Synonyms
- 5'-Deoxyadenosylcob
- 13870-90-1