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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:CHIR-090
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Accession:CHEBI:134107 term browser browse the term
Definition:An L-threonine derivative obtained by formal condensation of the carboxy group of 4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzoic acid with the amino group of N-hydroxy-L-threoninamide.
Synonyms:exact_synonym: N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide
 related_synonym: Formula=C24H27N3O5;   InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22+/m1/s1;   InChIKey=FQYBTYFKOHPWQT-VGSWGCGISA-N;   SMILES=O1CCN(CC1)CC2=CC=C(C=C2)C#CC3=CC=C(C(=O)N[C@@H]([C@H](O)C)C(=O)NO)C=C3
 xref: PMCID:PMC3197220;   PMID:17335290;   PMID:18025458;   PMID:20516283;   PMID:21171638;   PMID:22024823;   PMID:26833150;   PMID:27330072;   PMID:27526195;   Reaxys:18777591


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19801
    role 19747
      biological role 19746
        antimicrobial agent 17335
          CHIR-090 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    p-block element atom 19684
                      carbon group element atom 19583
                        carbon atom 19572
                          organic molecular entity 19572
                            organic group 18520
                              organic divalent group 18513
                                organodiyl group 18513
                                  carbonyl group 18415
                                    carbonyl compound 18415
                                      carboxylic acid 18087
                                        carboacyl group 17374
                                          univalent carboacyl group 17374
                                            carbamoyl group 17159
                                              carboxamide 17159
                                                monocarboxylic acid amide 14572
                                                  arenecarboxamide 6512
                                                    benzamides 6512
                                                      CHIR-090 0
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