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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:cyanocob(III)alamin
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Accession:CHEBI:17439 term browser browse the term
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.
Synonyms:exact_synonym: Coalpha-[alpha-(5,6-dimethylbenzimidazolyl)]-Cobeta-cyanocobamide
 related_synonym: CN-Cbl;   CO-CYANOCOBALAMIN;   Dicopac;   Formula=C63H88CoN14O14P;   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;   Vitamin B12 complex;   cyanocobalamin;   vitamin B-12
 alt_id: CHEBI:14041;   CHEBI:23435;   CHEBI:3979;   CHEBI:48820;   CHEBI:60496
 xref: CAS:68-19-9;   DrugBank:DB00115;   Gmelin:249901;   Gmelin:457955;   KEGG:C02823;   KEGG:D00166;   KNApSAcK:C00001534
 xref_mesh: MESH:D014805
 xref: PDBeChem:CNC;   PMID:29286160

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          vitamin (role) 0
            water-soluble vitamin (role) 0
              B vitamin 0
                vitamin B12 0
                  cobalamins 0
                    cob(III)alamins 0
                      cyanocob(III)alamin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                organic heterocyclic compound 0
                                  organonitrogen heterocyclic compound 0
                                    polypyrrole 0
                                      tetrapyrrole 0
                                        cyclic tetrapyrrole 0
                                          metallotetrapyrrole 0
                                            cobalt corrinoid 0
                                              cobalt-corrinoid hexaamide 0
                                                cobamides 0
                                                  cobalamins 0
                                                    cob(III)alamins 0
                                                      R-cob(III)alamin 0
                                                        cyanocob(III)alamin 0
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