CAS 13408-78-1

Cobalamin

Description:

Cobalamin, commonly known as vitamin B12, is a water-soluble vitamin essential for various biological functions in the human body. It plays a crucial role in the synthesis of DNA, the formation of red blood cells, and the maintenance of the nervous system. Cobalamin is unique among vitamins due to its complex structure, which includes a cobalt ion at its core, making it a member of the corrinoid family. It exists in several forms, with methylcobalamin and adenosylcobalamin being the most biologically active. Cobalamin is primarily obtained from animal-based foods, such as meat, fish, eggs, and dairy products, as well as through supplementation. Deficiency in vitamin B12 can lead to anemia, neurological disorders, and other health issues. The CAS number 13408-78-1 specifically identifies the compound, which is characterized by its bright red color and crystalline form. Its stability is influenced by factors such as light and pH, necessitating careful handling and storage to preserve its efficacy.

Formula: C₆₂H₈₈CoN₁₃O₁₄P

InChI: InChI=1S/C62H90N13O14P.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);/q;+3/p-2

InChI key: InChIKey=NSLAUEAQDBERRV-UHFFFAOYSA-L

SMILES: CC12[N]=3[Co+3]456[N-]7C1C(CC(N)=O)C(C)(C7=C(C)C8=[N]4C(=CC9=[N]5C(=C(C)C3C(CCC(N)=O)C2(CC(N)=O)C)C(CC(N)=O)(C)C9CCC(N)=O)C(C)(C)C8CCC(N)=O)CCC(=O)NCC(C)OP(=O)([O-])OC%10C(O)C(N%11C=[N]6C=%12C%11=CC(C)=C(C)C%12)OC%10CO

Synonyms:

• Cobalamin
• Cobalamina (1+)
• Cobalamine
• Cobalamine (1+)
• Cobinamide, dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole-κN3), ion(1+)
• Cobinamide, dihydrogen phosphate (ester), inner salt, 3′-ester with (5,6-dimethyl-1-α-<span class="text-smallcaps">D</span>-ribofuranosyl-1H-benzimidazole-κN³), ion(1+)
• Cobinamide, hydroxide, ion(1+), dihydrogen phosphate (ester), inner salt, 3'-ester with (5,6-dimethyl-1-alpha-D-ribofuranosyl-1H-benzimidazole-kappaN3)
• Cobinamide, hydroxide, ion(1+), dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosyl-1H-benzimidazole
• Cobinamide, hydroxide, ion(1+), dihydrogen phosphate (ester), inner salt, 3'-ester with 5,6-dimethyl-1-α-D-ribofuranosylbenzimidazole
• Cobinamide, hydroxide, ion(1+), dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-<span class="text-smallcaps">D</span>-ribofuranosyl-1H-benzimidazole
• Cobinamide, hydroxide, ion(1+), dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-<span class="text-smallcaps">D</span>-ribofuranosylbenzimidazole
• Cobinamide, ion(1+), dihydrogen phosphate (ester), inner salt, 3′-ester with 5,6-dimethyl-1-α-<span class="text-smallcaps">D</span>-ribofuranosyl-1H-benzimidazole
• Unii-8406Ey2Oqa