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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 210971
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Accession:CHEBI:68748 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: rel-(2S)-3-{(2R,4Z)-4-[{(1S,2R,4aS,6R,8S,8aR)-2-[(2E)-but-2-en-2-yl]-6,8-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl}(hydroxy)methylene]-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+/m1/s1;   InChIKey=AVZATKWNGXCSDN-UPZXKQCMSA-N;   SMILES=[H][C@]1(C)C[C@@H](C)C[C@@]2([H])C=C[C@]([H])([C@@H](\\C(O)=C3\\C(=O)N[C@H](C[C@](C)(O)C(O)=O)C3=O)[C@]12[H])C(\\C)=C\\C
 xref: Chemspider:28283529;   PMID:16872138;   PMID:23519550;   PMID:25885659;   PMID:26360642;   Reaxys:18561653
 cyclic_relationship: is_conjugate_acid_of CHEBI:167911



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  CHEBI ontology 19838
    role 19810
      biological role 19808
        antimicrobial agent 18202
          antifungal agent 17133
            sch 210971 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19838
    subatomic particle 19836
      composite particle 19836
        hadron 19836
          baryon 19836
            nucleon 19836
              atomic nucleus 19836
                atom 19836
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19722
                        carbon atom 19719
                          organic molecular entity 19719
                            heteroorganic entity 19474
                              organochalcogen compound 19262
                                organooxygen compound 19153
                                  carbon oxoacid 18647
                                    carboxylic acid 18620
                                      carboacyl group 17681
                                        univalent carboacyl group 17681
                                          carbamoyl group 17551
                                            carboxamide 17551
                                              lactam 8385
                                                gamma-lactam 6647
                                                  pyrrolidin-2-ones 168
                                                    sch 210971 0
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