Chemical Compound
1,N6-Ethenoadenosylcobalamin
CAS Registry Number
54635-00-6
Primary Record
1,N6-Ethenoadenosylcobalamin
- In stock
- 7,092 g
- Purity
- 98.9 %
- CAS
- 54635-00-6
Compound Identifiers & Properties
- CAS
- 54635-00-6
- PubChem CID
- 5748651
- SMILES
- CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC\4(C(C5C6(C(C(C(=N6)/C(=C\7/C(C(C(=N7)/C=C\8/C(C(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-]C1C(C(C(O1)N2C=NC3=C2N=CN4C3=NC=C4)O)O.[Co+2]
- Canonical SMILES
- C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\[N-]C(C(CC(N)=O)C4(C)CCC(=O)NCC(C)OP(=O)(O)OC4C(CO)OC(n5cnc6cc(C)c(C)cc65)C4O)C4(C)N=C1C(CCC(N)=O)C4(C)CC(N)=O)C(CCC(N)=O)C3(C)C)C(CCC(N)=O)C2(C)CC(N)=O.[CH2-]C1OC(n2cnc3c2ncn2ccnc32)C(O)C1O.[Co+2]
Names & Synonyms
- 1,N6-Ethenoadenosylcobalamin
- 1,N(6)-Ethenoadenosylcobalamin
- NSC 164644
- C74H100CoN18O17P
- NSC164644
- CID5748651
- NSC-164644
- C74-H100-Co-N18-O17-P
- 54635-00-6
- cobalt(2+);[5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 1-[3-[(4Z,9Z,14Z)-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 hydrogen phosphate;2-imidazo[2,1-f]purin-3-yl-5-methanidyloxolane-3,4-diol
- Cobinamide, Co-(3-(5-deoxy-beta-D-ribofuranosyl)-3H-imidazo(2,1-i)purine-5') deriv., hydroxide, dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole