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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:myo-inositol hexanicotinate
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Accession:CHEBI:31699 term browser browse the term
Definition:An inositol hexanicotinate that has formula C42H30N6O12.
Synonyms:exact_synonym: (1r,2R,3S,4s,5R,6S)-cyclohexane-1,2,3,4,5,6-hexayl hexanicotinate
 related_synonym: Formula=C42H30N6O12;   InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H/t31-,32-,33-,34+,35-,36-;   InChIKey=MFZCIDXOLLEMOO-GYSGTQPESA-N;   Inositol hexanicotinate;   Inositol niacinate;   SMILES=O=C(O[C@@H]1[C@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@H]1OC(=O)c1cccnc1)c1cccnc1
 xref: Beilstein:471092;   Beilstein:77649;   CAS:6556-11-2;   Drug_Central:1445;   KEGG:D01813


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19844
    role 19820
      biological role 19818
        biochemical role 19525
          metabolite 19512
            nicotinic acid 271
              myo-inositol hexanicotinate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbon oxoacid 18634
                                    carboxylic acid 18631
                                      monocarboxylic acid 18004
                                        pyridinemonocarboxylic acid 418
                                          nicotinic acid 271
                                            cyclitol nicotinate 0
                                              inositol nicotinate 0
                                                inositol hexanicotinate 0
                                                  myo-inositol hexanicotinate 0
paths to the root