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Vitamin B12

CAT: 0804-HY-B0315-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-B0315-01Size:500 mg
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Description
Vitamin B12 is a vitamin. Vitamin B12 plays a key role in the normal functioning of the brain and nervous system, and for the formation of blood. Vitamin B12 is beneficial for many inflammatory diseases and also provides protection in oxidative-stress-associated pathologies[1][2].
CAS Number
68-19-9
Product Name Alternative
Cyanocobalamin
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Cancer; Metabolic Disease; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Vitamin-B12.html
Concentration
10mM
Purity
99.99
Solubility
DMSO : 20.83 mg/mL (ultrasonic; warming; heat to 60°C) |H2O : 6.25 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N#[C-][Co+3]([N-]1[C@@]([C@@H]2CC(N)=O)([H])[C@]3([C@](C)4CC(N)=O)C)([N](C([C@](C)5CC(N)=O)=C6C)=C7[C@H]5CCC(N)=O)([N](C(C(C)8C)=C7)=C([C@H]8CCC(N)=O)C(C)=C1[C@@]2(CCC(NC[C@H]9C)=O)C)([N](C%10=C%11)=CN([C@@H](O[C@@H]%12CO)[C@]([C@@H]%12O[P]([O-])(O9)=O)([H])O)C%10=CC(C)=C%11C)[N]3=C6[C@H]4CCC(N)=O
Molecular Formula
C63H88CoN14O14P
Molecular Weight
1355.37
Precautions
H302, H315, H319, H335
References & Citations
[1]Banerjee, R. et al. The many faces of vitamin B12: catalysis by cobalamin-dependent enzymes. Annu Rev Biochem, 2003. 72: p. 209-47.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Natural Products
Clinical Information
Launched
Isoform
Human Endogenous Metabolite; Microbial Metabolite

Chemical Information

Vitamin B12

vitamin B12 is a metabolite found in or produced by Escherichia coli (strain K12, MG1655).

CAS Number68-19-9
PubChem CID165339223
IUPAC Namecobalt(3+);[(2R,3S,5S)-5-(5,6-dimethylbenzimidazol-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [(2R)-1-[3-[(1R,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;cyanide
Molecular FormulaC63H88CoN14O14P
Molecular Weight1355.4
Topological Polar Surface Area476
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count21
Rotatable Bond Count26
Heavy Atom Count93
Formal Charge0
Complexity3150
SMILES
CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3C([C@@H]([C@H](O3)CO)OP(=O)([O-])O[C@H](C)CNC(=O)CC[C@@]\4([C@H]([C@@H]5[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.[C-]#N.[Co+3]
InChI
InChI=1S/C62H90N13O14P.CN.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;1-2;/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;-1;+3/p-2/t31-,34-,35-,36-,37+,41-,52?,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
InChIKey
FDJOLVPMNUYSCM-SYUKHSAKSA-L
Chemical Structure
2D Structure
2D structure of Vitamin B12
CAS: 68-19-9
CID: 165339223
Formula: C63H88CoN14O14P
MW: 1355.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1355.4
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count21
Rotatable Bond Count26
Exact Mass1354.567399
Monoisotopic Mass1354.567399
Topological Polar Surface Area476 Ų
Heavy Atom Count93
Formal Charge0
Complexity3150
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes