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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:cob(I)alamin
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Accession:CHEBI:15982 term browser browse the term
Definition:A cobalamin in which the central cobalt atom has an oxidation state of +1.
Synonyms:related_synonym: Formula=C62H89CoN13O14P;   InChI=1S/C62H90N13O14P.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;/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;+1/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;/m1./s1;   InChIKey=OMAOKVYASDIYQG-DSRCUDDDSA-M;   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-4]456N1C3=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;   Vitamin B12s;   vitamin B-12s
 alt_id: CHEBI:14004;   CHEBI:23328;   CHEBI:3784
 xref: CAS:18534-66-2;   COMe:MOL000034;   Gmelin:887721;   KEGG:C00853
 cyclic_relationship: is_conjugate_acid_of CHEBI:60488


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Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        biochemical role 19515
          cofactor 16165
            cob(I)alamin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            organic molecule 19677
                              organic cyclic compound 19490
                                organic heterocyclic compound 18852
                                  organonitrogen heterocyclic compound 18148
                                    polypyrrole 697
                                      tetrapyrrole 585
                                        cyclic tetrapyrrole 455
                                          metallotetrapyrrole 420
                                            cobalt corrinoid 110
                                              cobalt-corrinoid hexaamide 110
                                                cobamides 110
                                                  cobalamins 110
                                                    cobalamin 0
                                                      cob(I)alamin 0
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