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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:NADH(2-)
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Accession:CHEBI:57945 term browser browse the term
Definition:Dianion of NADH arising from deprotonation of the two diphosphate OH groups; major species at pH 7.3.
Synonyms:exact_synonym: adenosine 5'-{3-[1-(3-carbamoyl-1,4-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl] diphosphate}
 related_synonym: Formula=C21H27N7O14P2;   InChI=1S/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1;   InChIKey=BOPGDPNILDQYTO-NNYOXOHSSA-L;   NADH;   NADH dianion;   SMILES=NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
 xref: Beilstein:3869564
 cyclic_relationship: is_conjugate_base_of CHEBI:16908


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19908
    role 19883
      biological role 19881
        biochemical role 19571
          cofactor 15925
            NADH(2-) 0
              (R)-NADHX(2-) 0
              (S)-NADHX(2-) 0
              5'-end NADH(2-) residue 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19908
    subatomic particle 19906
      composite particle 19906
        hadron 19906
          baryon 19906
            nucleon 19906
              atomic nucleus 19906
                atom 19906
                  main group element atom 19853
                    p-block element atom 19853
                      chalcogen 19601
                        oxygen atom 19574
                          oxygen molecular entity 19574
                            hydroxides 19372
                              oxoacid 18748
                                pnictogen oxoacid 13144
                                  phosphorus oxoacid 12396
                                    phosphoric acids 11431
                                      phosphoric acid 11431
                                        phosphoric acid derivative 11240
                                          organophosphate oxoanion 3
                                            nucleotide-sugar oxoanion 0
                                              NADH(2-) 0
                                                (R)-NADHX(2-) 0
                                                (S)-NADHX(2-) 0
                                                5'-end NADH(2-) residue 0
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