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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 26034
    role 25961
      chemical role 24242
        donor 23222
          Bronsted acid 23023
            oxoacid 22975
              carbon oxoacid 22749
                carboxylic acid 22729
                  monocarboxylic acid 21724
                    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 26034
    subatomic particle 26009
      composite particle 26009
        hadron 26020
          baryon 26009
            nucleon 26009
              atomic nucleus 26009
                atom 26009
                  main group element atom 25834
                    p-block element atom 25834
                      carbon group element atom 25434
                        carbon atom 25403
                          organic molecular entity 25392
                            organic molecule 25222
                              organic cyclic compound 24274
                                organic heterocyclic compound 22328
                                  organic heteromonocyclic compound 19212
                                    diazolidine 1017
                                      imidazolidines 1007
                                        imidazolidinone 619
                                          imidazolidine-2,4-dione 483
                                            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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