cobamamide (CHEBI:18408)

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CHEBI:18408 - cobamamide

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ChEBI Name	cobamamide

ChEBI ID	CHEBI:18408

Definition	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.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:13739, CHEBI:23340, CHEBI:3797

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

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Molfile

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67 69 1 0 0 0 0

67 68 2 0 0 0 0

64 67 1 0 0 0 0

64 66 1 0 0 0 0

64 65 1 0 0 0 0

60 63 1 0 0 0 0

60 62 1 0 0 0 0

60 61 1 0 0 0 0

56 59 1 0 0 0 0

56 58 1 0 0 0 0

56 57 1 0 0 0 0

53 55 1 0 0 0 0

53 54 1 0 0 0 0

51 53 1 0 0 0 0

51 52 2 0 0 0 0

48 51 1 0 0 0 0

48 50 1 0 0 0 0

48 49 1 0 0 0 0

45 48 1 0 0 0 0

45 47 1 0 0 0 0

45 46 1 0 0 0 0

42 44 1 0 0 0 0

42 43 1 0 0 0 0

40 42 1 0 0 0 0

40 41 2 0 0 0 0

37 40 1 0 0 0 0

37 39 1 0 0 0 0

37 38 1 0 0 0 0

33 36 1 0 0 0 0

33 35 1 0 0 0 0

33 34 1 0 0 0 0

25 28 1 0 0 0 0

25 27 1 0 0 0 0

25 26 1 0 0 0 0

23 32 1 0 0 0 0

23 24 1 0 0 0 0

21115 1 0 0 0 0

21 23 1 0 0 0 0

21 22 1 0 0 0 0

20105 1 0 0 0 0

20101 1 0 0 0 0

20 21 1 0 0 0 0

19 32 1 0 0 0 0

19 20 1 0 0 0 0

18 97 1 0 0 0 0

18 19 2 0 0 0 0

17 91 1 0 0 0 0

17 31 2 0 0 0 0

17 18 1 0 0 0 0

16 91 1 0 0 0 0

16 87 1 0 0 0 0

16 83 1 0 0 0 0

15 31 1 0 0 0 0

15 16 1 0 0 0 0

13 15 2 0 0 0 0

13 14 1 0 0 0 0

12 30 2 0 0 0 0

12 13 1 0 0 0 0

10 72 1 0 0 0 0

10 12 1 0 0 0 0

10 11 1 0 0 0 0

9 64 1 0 0 0 0

9 60 1 0 0 0 0

9 10 1 0 0 0 0

8 30 1 0 0 0 0

8 9 1 0 0 0 0

7 56 1 0 0 0 0

7 8 2 0 0 0 0

6 29 2 0 0 0 0

6 7 1 0 0 0 0

4 45 1 0 0 0 0

4 6 1 0 0 0 0

4 5 1 0 0 0 0

3 37 1 0 0 0 0

3 33 1 0 0 0 0

3 4 1 0 0 0 0

2 29 1 0 0 0 0

2 25 1 0 0 0 0

2 23 1 0 0 0 0

2 3 1 0 0 0 0

1195 1 0 0 0 0

1156 1 0 0 0 0

1 32 1 0 0 0 0

1 31 1 0 0 0 0

1 30 1 0 0 0 0

1 29 1 0 0 0 0

91203 1 0 0 0 0

92204 1 0 0 0 0

92205 1 0 0 0 0

93206 1 0 0 0 0

93207 1 0 0 0 0

96208 1 0 0 0 0

96209 1 0 0 0 0

M CHG 1 135 -1

M END): 25 ms

reading 209 atoms

ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false

1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.

Default Van der Waals type for model set to Babel

209 atoms created

ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation

Script completed

Jmol script terminated

Molfile expand

Wikipedia	License
Hydroxocobalamin, also known as vitamin B12a and hydroxycobalamin, is a vitamin found in food and used as a dietary supplement. As a supplement it is used to treat vitamin B12 deficiency including pernicious anemia. Other uses include treatment for cyanide poisoning, Leber's optic atrophy, and toxic amblyopia. It is given by injection into a muscle or vein, by pill or sublingually. Side effects are generally few. They may include diarrhea, feeling sick, hot flushes, itchiness, low blood potassium, allergic reactions, and high blood pressure. Normal doses are considered safe in pregnancy. No overdosage or toxicity has been reported with this drug. Hydroxocobalamin is the natural form of vitamin B12 and a member of the cobalamin family of compounds. It is found in both raw and cooked beef, together with other cobalamins. Hydroxocobalamin, or another form of vitamin B12, are required for the body to make DNA. Hydroxocobalamin was first isolated in 1949. It is on the World Health Organization's List of Essential Medicines. Hydroxocobalamin is available as a generic medication. Commercially it is made using one of a number of types of bacteria.
Read full article at Wikipedia

Formula

C72H100CoN18O17P

Net Charge

Average Mass

1579.58180

Monoisotopic Mass

1578.65834

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;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1

InChIKey

ZIHHMGTYZOSFRC-OUCXYWSSSA-L

SMILES

[H][C@]12[C@H](CC(N)=O)[C@@]3(C)CCC(=O)NC[C@@H](C)OP([O-])(=O)O[C@@H]4[C@@H](CO)O[C@@H]([C@@H]4O)n4c[n+](c5cc(C)c(C)cc45)[Co-3]456(C[C@H]7O[C@H]([C@H](O)[C@@H]7O)n7cnc8c(N)ncnc78)N1C3=C(C)C1=[N+]4C(=CC3=[N+]5C(=C(C)C4=[N+]6[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]1CCC(N)=O

Metabolite of Species	Details
Escherichia coli (NCBI:txid562)	See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). coenzyme A low-molecular-weight, non-protein organic compound participating in enzymatic reactions as dissociable acceptor or donor of chemical groups or electrons. cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). (via corrinoid ) prosthetic group A tightly bound, specific nonpolypeptide unit in a protein determining and involved in its biological activity. water-soluble vitamin (role) Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine. (via B vitamin )

Application(s):	nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. (via B vitamin )

View more via ChEBI Ontology

ChEBI Ontology
Outgoing	cobamamide (CHEBI:18408) has role Escherichia coli metabolite (CHEBI:76971) cobamamide (CHEBI:18408) has role coenzyme (CHEBI:23354) cobamamide (CHEBI:18408) has role cofactor (CHEBI:23357) cobamamide (CHEBI:18408) has role human metabolite (CHEBI:77746) cobamamide (CHEBI:18408) has role prosthetic group (CHEBI:26348) cobamamide (CHEBI:18408) is a cobalamins (CHEBI:23334) cobamamide (CHEBI:18408) is a corrinoid (CHEBI:33913)

Incoming	adenosylcobalamin 5'-phosphate (CHEBI:49100) has functional parent cobamamide (CHEBI:18408)

IUPAC Name

Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-(5'-deoxy-5'-adenosyl)cobamide

INNs	Sources
cobamamida	ChemIDplus
cobamamide	ChemIDplus
cobamamide	WHO MedNet
cobamamidum	ChemIDplus

Synonyms	Sources
(5,6-Dimethylbenzimidazolyl)cobamide coenzyme	KEGG COMPOUND
(5,6-dimethylbenzimidazolyl)cobamide coenzyme	MetaCyc
5'-Deoxy-5'-adenosyl vitamin B12	KEGG COMPOUND
5'-Deoxy-5'-adenosyl-5,6-dimethylbenzimidazolylcobamide	KEGG COMPOUND
5'-Deoxy-5'-adenosylcobalamin	KEGG COMPOUND
5'-deoxyadenosyl vitamin B12	MetaCyc
5'-deoxyadenosyl-5,6-dimethylbenzimidazolylcobamide	MetaCyc
5'-deoxyadenosylcobalamin	MetaCyc
5,6-Dimethylbenzimidazolyl-5-deoxyadenosyl-cobamide	KEGG COMPOUND
5,6-Dimethylbenzimidazolyl-Co-5'-deoxy-5'-adenosylcobamide	KEGG COMPOUND
adenosylcob(III)alamin	UniProt
Adenosylcob(III)alamin	KEGG COMPOUND
Adenosylcobalamin	KEGG COMPOUND
adenosylcobalamin	CBN
AdoCbl	CBN
alpha-(5,6-Dimethylbenzimidazolyl)cobamide coenzyme	KEGG COMPOUND
Calomide	KEGG COMPOUND
Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-adenosylcobamide	CBN
Cobalamin coenzyme	KEGG COMPOUND
cobamamid	MetaCyc
Cobamamide	KEGG COMPOUND
cobamide coenzyme	MetaCyc
coenzyme B-12	CBN
Coenzyme B12	KEGG COMPOUND
DBC coenzyme	ChemIDplus
Deoxyadenosylcobalamin	KEGG COMPOUND
Dibencozide	KEGG COMPOUND
DMBC coenzyme	KEGG COMPOUND
Funacomide	KEGG COMPOUND
Vitamin B12 coenzyme	KEGG COMPOUND

Brand Name	Source
Calomide	KEGG DRUG

Manual Xrefs	Databases
ADENOSYLCOBALAMIN	MetaCyc
B1Z	PDBeChem
C00194	KEGG COMPOUND
Cobamamide	Wikipedia
DB11191	DrugBank
HMDB0002086	HMDB
View more database links

Registry Numbers	Types	Sources
13870-90-1	CAS Registry Number	KEGG COMPOUND
13870-90-1	CAS Registry Number	ChemIDplus
4122932	Reaxys Registry Number	Reaxys
439994	Gmelin Registry Number	Gmelin

Citations	Types	Sources
11792214	PubMed citation	Europe PMC
12093296	PubMed citation	Europe PMC
17011224	PubMed citation	Europe PMC

Last Modified

06 January 2020

CHEBI:18408 - cobamamide

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