ChEBI logo

ChEBI


    The database and ontology of Chemical Entities of Biological Interest

spacer

cyanocob(III)alamin (CHEBI:17439)

Search for only All in ChEBI

Main     ChEBI Ontology     Automatic Xrefs      
ChEBI Name cyanocob(III)alamin
ChEBI ID CHEBI:17439
ChEBI ASCII Name cyanocob(III)alamin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:48820, CHEBI:60496, CHEBI:14041, CHEBI:3979, CHEBI:23435
Supplier Information
See structure as:  Image  Applet
Save molfile Download Molfile
more structures >>
Formula Source
C63H88CoN14O14P ChEBI
Net Charge 0
Average Mass 1355.36520
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): vitamin
An organic substance that is distributed in foodstuffs, is distinct from the main organic components of food (protein, carbohydrate and fat) and is needed for the normal nutrition of the organism in question. The term "vitamines" (from vita + amines) was coined in 1912 by Casimir Funk, who believed that these compounds were amines.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing cyanocob(III)alamin (CHEBI:17439) has role vitamin (CHEBI:33229)
cyanocob(III)alamin (CHEBI:17439) is a cob(III)alamins (CHEBI:23333)
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 KEGG COMPOUND
Dicopac KEGG COMPOUND
vitamin B-12 CBN
Vitamin B12 complex KEGG COMPOUND
Database Links 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
Last Modified
04 August 2014

spacer
spacer