CHEBI:17439 - cyanocob(III)alamin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyanocob(III)alamin
ChEBI ID CHEBI:17439
ChEBI ASCII Name cyanocob(III)alamin
Definition A complex cob(III)alamin in which cobalt is positioned in the centre of a planar corrin tetrapyrrole ring and bound axially to a 5,6-dimethylbenzimidazole moiety and a cyano group. It is one of several forms of the vitamin known as vitamin B12.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:60496, CHEBI:48820, CHEBI:3979, CHEBI:14041, CHEBI:23435
Supplier Information
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Formula C63H88CoN14O14P
Net Charge 0
Average Mass 1355.36520
Monoisotopic Mass 1354.56740
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;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1
InChIKey RMRCNWBMXRMIRW-WZHZPDAFSA-L
SMILES [H][C@@]1(C)CNC(=O)CC[C@]2(C)[C@@H](CC(N)=O)[C@@]3([H])N4C2=C(C)C2=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]3(C)[C@@](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co-3]457(C#N)[n+]3cn([C@H]4O[C@H](CO)[C@@H](OP([O-])(=O)O1)[C@H]4O)c1cc(C)c(C)cc31)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O
Roles Classification
Biological Role(s): 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 )
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 )
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 cyanocob(III)alamin (CHEBI:17439) is a cob(III)alamins (CHEBI:23333)
cyanocob(III)alamin (CHEBI:17439) is a R-cob(III)alamin (CHEBI:140785)
IUPAC Names
Coα-[α-(5,6-dimethylbenzimidazolyl)]-Coβ-cyanocobamide
cyanocob(III)alamin
INN Source
cyanocobalamin KEGG DRUG
Synonyms Sources
CN-Cbl CBN
CO-CYANOCOBALAMIN PDBeChem
cyanocob(III)alamin UniProt
Cyanocob(III)alamin KEGG COMPOUND
Dicopac KEGG COMPOUND
vitamin B-12 CBN
Vitamin B12 complex KEGG COMPOUND
Manual Xrefs Databases
C00001534 KNApSAcK
C02823 KEGG COMPOUND
CNC PDBeChem
D00166 KEGG DRUG
DB00115 DrugBank
View more database links
Registry Numbers Types Sources
249901 Gmelin Registry Number Gmelin
457955 Gmelin Registry Number Gmelin
68-19-9 CAS Registry Number KEGG COMPOUND
68-19-9 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
29286160 PubMed citation Europe PMC
Last Modified
04 August 2021