Primary Record
Cobamamide
- In stock
- 9,246 g
- Purity
- 98.3 %
- CAS
- 13870-90-1
Compound Identifiers & Properties
- CAS
- 13870-90-1
- PubChem CID
- 146678993
- SMILES
- CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C(C([C@H](O3)CO)OP(=O)([O-])OC(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(=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.[CH2-]C1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co+3]
- Canonical SMILES
- C/C1=C2/[N-]C([C@H](CC(N)=O)[C@@]2(C)CCC(=O)NCC(C)OP(=O)([O-])OC2C(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.[CH2-]C1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O.[Co+3]
Names & Synonyms
- Cobamamide
- SCHEMBL31012120
- (2S,3S,4R)-2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol;cobalt(3+);[(2R,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(2R,3R,4Z,7S,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-amino-2-oxoethyl)-7,12,17-tris(3-amino-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-2,7,12,17-tetrahydro-1H-corrin-21-id-3-yl]propanoylamino]propan-2-yl phosphate
- 13870-90-1