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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:6-(methylamino)hexane-1,2,3,4,5-pentol 2-[2-methyl-3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid
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Accession:CHEBI:94822 term browser browse the term
Definition:A hexose that has formula C21H28F3N3O7.
Synonyms:related_synonym: Formula=C21H28F3N3O7;   InChI=1S/C14H11F3N2O2.C7H17NO5/c1-8-10(14(15,16)17)5-2-6-11(8)19-12-9(13(20)21)4-3-7-18-12;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-7H,1H3,(H,18,19)(H,20,21);4-13H,2-3H2,1H3;   InChIKey=MGCCHNLNRBULBU-UHFFFAOYSA-N;   SMILES=CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CNCC(C(C(C(CO)O)O)O)O
 xref: LINCS:LSM-6033


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Term Annotations click to browse term
  CHEBI ontology 19853
    chemical entity 19851
      atom 19851
        nonmetal atom 19780
          oxygen atom 19520
            oxygen molecular entity 19520
              organooxygen compound 19170
                carbohydrates and carbohydrate derivatives 15293
                  carbohydrate 15293
                    monosaccharide 4812
                      hexose 3001
                        6-(methylamino)hexane-1,2,3,4,5-pentol 2-[2-methyl-3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19797
                    p-block element atom 19797
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19492
                              organochalcogen compound 19254
                                organooxygen compound 19170
                                  carbohydrates and carbohydrate derivatives 15293
                                    carbohydrate 15293
                                      monosaccharide 4812
                                        hexose 3001
                                          6-(methylamino)hexane-1,2,3,4,5-pentol 2-[2-methyl-3-(trifluoromethyl)anilino]-3-pyridinecarboxylic acid 0
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