Primary Record
Aquocobalamin
- In stock
- 6,384 g
- Purity
- 98.3 %
- CAS
- 13422-52-1
Compound Identifiers & Properties
- CAS
- 13422-52-1
- PubChem CID
- 6449885
- 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.O.[OH-].[Co+3]
- 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.O.[Co+3].[OH-]
Names & Synonyms
- Aquocobalamin
- Aquacobalamin
- aquayayamycin
- Aquacob(III)alamin
- AC1O6ABF
- RefChem:113616
- UNII-8S07EB1568
- EINECS 236-534-8
- SCHEMBL31119620
- C62H90CoN13O15P.HO
- 8S07EB1568
- 13422-52-1
- CID6449885
- C62-H90-Co-N13-O15-P.H-O
- cobalt(3+);[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 phosphate;hydroxide;hydrate
- cobalt(3+); [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 phosphate; hydroxide; hydrate
- Cobinamide, Co-aqua-, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3), ion(1+), hydroxide (1:1)
- Cobinamide, dihydroxide, monohydrate, dihydrogen phosphate (ester), mono(inner salt), 3'-ester with 5,6-dimethyl-1-.alpha.-D-ribofuranosyl-1H-benzimidazole