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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:(3S,4R)-BW 245C
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Accession:CHEBI:131501 term browser browse the term
Definition:A 7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid that is the (3S,4R)-enantiomer of BW 245C.
Synonyms:exact_synonym: 7-{(4R)-3-[(3S)-3-cyclohexyl-3-hydroxypropyl]-2,5-dioxoimidazolidin-4-yl}heptanoic acid
 related_synonym: (S-(R*,S*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidine-4-heptanoic acid;   Formula=C19H32N2O5;   InChI=1S/C19H32N2O5/c22-16(14-8-4-3-5-9-14)12-13-21-15(18(25)20-19(21)26)10-6-1-2-7-11-17(23)24/h14-16,22H,1-13H2,(H,23,24)(H,20,25,26)/t15-,16+/m1/s1;   InChIKey=ZIDQIOZJEJFMOH-CVEARBPZSA-N;   SMILES=C(CN1C(NC([C@H]1CCCCCCC(O)=O)=O)=O)[C@@H](C2CCCCC2)O
 xref: CAS:78420-16-3;   Reaxys:5304906
 cyclic_relationship: is_enantiomer_of CHEBI:131500


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      chemical role 19283
        donor 18416
          Bronsted acid 18283
            oxoacid 18235
              carbon oxoacid 18119
                carboxylic acid 18108
                  monocarboxylic acid 17475
                    7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid 2
                      (3S,4R)-BW 245C 0
                        BW 245C 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic molecule 19514
                              organic cyclic compound 19311
                                organic heterocyclic compound 18425
                                  organic heteromonocyclic compound 16467
                                    diazolidine 587
                                      imidazolidines 577
                                        imidazolidinone 478
                                          imidazolidine-2,4-dione 457
                                            7-[3-(3-cyclohexyl-3-hydroxypropyl)-2,5-dioxoimidazolidin-4-yl]heptanoic acid 2
                                              (3S,4R)-BW 245C 0
                                                BW 245C 0
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