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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 19863
    role 19835
      biological role 19833
        biochemical role 19540
          metabolite 19527
            nicotinic acid 274
              myo-inositol hexanicotinate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19863
    subatomic particle 19861
      composite particle 19861
        hadron 19861
          baryon 19861
            nucleon 19861
              atomic nucleus 19861
                atom 19861
                  main group element atom 19807
                    p-block element atom 19807
                      carbon group element atom 19748
                        carbon atom 19744
                          organic molecular entity 19744
                            heteroorganic entity 19498
                              organochalcogen compound 19259
                                organooxygen compound 19175
                                  carbon oxoacid 18642
                                    carboxylic acid 18639
                                      monocarboxylic acid 18012
                                        pyridinemonocarboxylic acid 421
                                          nicotinic acid 274
                                            cyclitol nicotinate 0
                                              inositol nicotinate 0
                                                inositol hexanicotinate 0
                                                  myo-inositol hexanicotinate 0
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