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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:(S)-NADHX
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Accession:CHEBI:44236 term browser browse the term
Definition:A tetrahydronicotinamide adenine dinucleotide obtained by formal stereo- and regioselective hydration across the 5,6-double bond in the nicotinyl ring of NADH, with the hydroxy group located at position 6, having (S)-configuration.
Synonyms:exact_synonym: adenosine 5'-(3-{5-[(2S)-5-carbamoyl-2-hydroxy-3,4-dihydropyridin-1-yl]-5-deoxy-beta-D-ribofuranosyl} dihydrogen diphosphate)
 related_synonym: (6S)-6beta-hydroxy-1,4,5,6-tetrahydronicotinamide adenine dinucleotide;   6beta-Hydroxy-1,4,5,6-tetrahydronicotinamide-adenine dinucleotide;   BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE;   Formula=C21H31N7O15P2;   InChI=1S/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29-33H,1-2,4-5H2,(H2,23,34)(H,35,36)(H,37,38)(H2,22,24,25)/t9-,10-,11+,13-,14-,15-,16-,20-,21-/m1/s1;   InChIKey=IDBZKGQRLBFUFQ-VPHRTNKSSA-N;   SMILES=NC(=O)C1=CN([C@@H](O)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: HMDB:HMDB0059644;   KEGG:C04856;   MetaCyc:CPD-653;   PDBeChem:NAX;   PMID:21994945
 cyclic_relationship: is_conjugate_acid_of CHEBI:57458;   is_conjugate_base_of CHEBI:15644



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        biochemical role 19515
          cofactor 16165
            NADH 0
              (S)-NADHX 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
                      chalcogen 19534
                        oxygen atom 19509
                          oxygen molecular entity 19509
                            hydroxides 19320
                              oxoacid 18744
                                pnictogen oxoacid 13224
                                  phosphorus oxoacid 12429
                                    phosphoric acids 11430
                                      phosphoric acid 11430
                                        phosphoric acid derivative 11239
                                          phosphate 11238
                                            organic phosphate 11238
                                              nucleoside phosphate 1848
                                                nucleotide 1845
                                                  pyridine nucleotide 212
                                                    nicotinamide nucleotide 212
                                                      nicotinamide dinucleotide 190
                                                        NAD(P) 190
                                                          NAD 89
                                                            NADH 0
                                                              (S)-NADHX 0
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