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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:sch 210972
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Accession:CHEBI:68749 term browser browse the term
Definition:A member of the class of pyrrolidin-2-ones isolated from the fungal fermentation broth of Chaetomium globosum and shown to exhibit inhibitory activity against chemokine receptor CCR-5.
Synonyms:exact_synonym: (2S)-3-{(2S,4Z)-4-[{(1R,2S,4aR,6S,8R,8aS)-2-[(2E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}(hydroxy)methylidene]-3,5-dioxopyrrolidin-2-yl}-2-hydroxy-2-methylpropanoic acid
 related_synonym: Formula=C25H35NO6;   InChI=1S/C25H35NO6/c1-6-13(3)16-8-7-15-10-12(2)9-14(4)18(15)19(16)22(28)20-21(27)17(26-23(20)29)11-25(5,32)24(30)31/h6-8,12,14-19,28,32H,9-11H2,1-5H3,(H,26,29)(H,30,31)/b13-6+,22-20-/t12-,14+,15-,16+,17-,18-,19-,25-/m0/s1;   InChIKey=AVZATKWNGXCSDN-IIRHHVPJSA-N;   SMILES=[H][C@]12C[C@@H](C)C[C@@H](C)[C@]1([H])[C@@H](\\C(O)=C1\\C(=O)N[C@@H](C[C@](C)(O)C(O)=O)C1=O)[C@]([H])(C=C2)C(\\C)=C\\C;   sch210972
 xref: PMID:16872138;   PMID:17827664;   PMID:19413111;   PMID:25450623;   PMID:25885659;   PMID:26360642;   PMID:28387469
 cyclic_relationship: is_conjugate_acid_of CHEBI:167897


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Term Annotations click to browse term
  CHEBI ontology 22194
    role 22179
      biological role 22178
        pharmacological role 19784
          antagonist 17531
            chemokine receptor 5 antagonist 44
              sch 210972 0
                sch 213766 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22194
    subatomic particle 22186
      composite particle 22186
        hadron 22186
          baryon 22186
            nucleon 22186
              atomic nucleus 22186
                atom 22186
                  main group element atom 22120
                    p-block element atom 22120
                      carbon group element atom 21920
                        carbon atom 21846
                          organic molecular entity 21846
                            heteroorganic entity 21500
                              organochalcogen compound 20983
                                organooxygen compound 20824
                                  carbon oxoacid 19606
                                    carboxylic acid 19602
                                      carboacyl group 18299
                                        univalent carboacyl group 18299
                                          carbamoyl group 18110
                                            carboxamide 18110
                                              lactam 8460
                                                gamma-lactam 6707
                                                  pyrrolidin-2-ones 162
                                                    sch 210972 0
                                                      sch 213766 0
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