Adenosylcobalamin
Also known as coenzyme B-12, Cobamamide, Cobamide coenzyme
Key facts
What buyers check first
- Formula
- C72H100CoN18O17P-3
- Molar mass
- 1,579.61 g/mol
- HS code
- 293626
- Category
- Nucleosides and nucleotides
What is Adenosylcobalamin?
Plain description, key identifiers and synonyms
Cobamamide is a member of the class of cobalamins that is vitamin B12 in which the cyano group is replaced by a 5'-deoxyadenos-5'-yl moiety. It is one of the two metabolically active form of vitamin B12. It has a role as a coenzyme, a cofactor, a prosthetic group, an Escherichia coli metabolite and a human metabolite. It is a member of cobalamins and a corrinoid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-methanidyloxolane-3,4-diol, cobalt, [(2R,3S,4R,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
- Molecular formula
- C72H100CoN18O17P-3
- INCI name
- COBAMAMIDE
- InChIKey
- DFDCDQDATCDZSO-OUCXYWSSSA-L
- InChI
- InChI=1S/C62H90N13O14P.C10H12N5O3.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;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/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);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1
- Canonical SMILES
- CC1=C2N=C(C=C3N=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(n2cnc3c(N)ncnc32)C(O)C1O.[Co]
- Isomeric SMILES
- CC1=CC2=C(C=C1C)N(C=N2)[C@@H]3[C@@H]([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.[CH2-][C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Co]
Synonyms
- coenzyme B-12
- Cobamamide
- Cobamide coenzyme
- Calomide
- Adenosylcob(III)alamin
- Cobamamid
- Vitamin B12 coenzyme
- 5'-Deoxy-5'-adenosylcobalamin
- Cobalamin coenzyme
- Cobamamida
- Cobamamidum
- Dibencozide
- Funacomide
- AdoCbl
- DBC coenzyme
- (5,6-dimethylbenzimidazolyl)cobamide coenzyme
- Deoxyadenosylcobalamin
- 5'-Deoxyadenosyl vitamin B12
- 5'-Deoxyadenosylcobalamin
- (5'-Deoxy-5'-adenosyl)cobamide coenzyme
- 5'-Deoxy-5'-adenosyl vitamin B12
- Vitamin B12 coenzymes
- 5'-Deoxyadenosyl-5,6-dimethylbenzimidazolylcobamide
- Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-adenosylcobamide
- Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-(5'-deoxy-5'-adenosyl)cobamide
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 1,579.61 g/molcalc.Computed value |
|---|---|
| Exact mass | 1,578.66 Dacalc.Computed value |
| LogP (octanol/water) | 2.17calc.Computed value |
| Topological polar surface area | 584.2 Ųcalc.Computed value |
| Hydrogen bond donors | 12calc.Computed value |
| Hydrogen bond acceptors | 25calc.Computed value |
| Rotatable bonds | 27calc.Computed value |
| Heavy atoms | 109calc.Computed value |
| Rings | 11calc.Computed value |
| Aromatic rings | 4calc.Computed value |
| Fraction sp3 carbons | 0.6calc.Computed value |
| Formal charge | -3calc.Computed value |
| Stereocentres | 19calc.Computed value |
| Components | 3calc.Computed value |
| Lipinski rule of five | Fails (3 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C(CCC1CC2NC1=CC1=NC(=CC3=NC(=CC4=NC2CC4)CC3)CC1)NCCO[PH](=O)OC1COC(n2cnc3ccccc32)C1
8 rings, 48 atoms.
158 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Adenosylcobalamin suppliers
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- India ManufacturerUnclaimed profileAdenosylcobalaminGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profileAdenosylcobalaminGrade, purity and minimum order on requestPrice on request
- India, SuratUnclaimed profileAdenosylcobalaminGrade, purity and minimum order on requestPrice on request
- United States ManufacturerUnclaimed profileAdenosylcobalaminGrade, purity and minimum order on requestPrice on request
- United States, HollandUnclaimed profileAdenosylcobalaminGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
5 suppliers in 2 countries
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Adenosylcobalamin price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Industries and functions
Cosmetic ingredient, INCI name COBAMAMIDE(antioxidant, skin conditioning, skin protecting)
Roles
- Escherichia coli metabolite
- animal metabolite
- anti-anaemic agent
- bacterial metabolite
- coenzyme
- cofactor
- dermatologic drug
- eukaryotic metabolite
- human metabolite
- mammalian metabolite
- metabolite
- pharmaceutical
- prokaryotic metabolite
- prosthetic group
Cosmetic functions
- Antioxidant
- Skin conditioning
- Skin protecting
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Adenosylcobalamin is traded under.
Vitamin B12 and its derivatives
- China47.1%
- France * partner reported12.0%
- United States10.1%
- United States23.0%
- India * partner reported9.8%
- Netherlands7.9%
* Partner reported figures, a lower bound.
The HS code shown for Adenosylcobalamin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Adenosylcobalamin, based on the data on this page
What is Adenosylcobalamin?
What is the molecular formula and weight of Adenosylcobalamin?
What is Adenosylcobalamin used for?
Is Adenosylcobalamin hazardous?
What is the HS code of Adenosylcobalamin?
Where can I buy Adenosylcobalamin?
Where can I buy Adenosylcobalamin in India?
What is the price of Adenosylcobalamin?
Guides for buyers
Practical guides that help when you source, ship or handle Adenosylcobalamin
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Article, QualityWhat a certificate of analysis should containThe parts of a complete COA, how to read it against your specification, the warning signs of a weak or copied certificate and how to verify results.Read
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