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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:5-bromo-4-chloro-3-indolyl beta-D-glucuronide
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Accession:CHEBI:75510 term browser browse the term
Definition:An indolyl carbohydrate that is the beta-D-glucuronide of indoxyl in which the indole moiety is substituted at positions 4 and 5 by chlorine and bromine, respectively
Synonyms:exact_synonym: 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronic acid
 related_synonym: 5-Bromo-4-chloro-3-indolylglucuronide;   5-bromo-4-chloroindoxyl beta-D-glucuronide;   Bci-3 glud;   Formula=C14H13BrClNO7;   InChI=1S/C14H13BrClNO7/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22/h1-3,9-12,14,17-20H,(H,21,22)/t9-,10-,11+,12-,14+/m0/s1;   InChIKey=DHJFFLKPAYHPHU-BYNIDDHOSA-N;   SMILES=[H][C@]1(O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)Oc1c[nH]c2ccc(Br)c(Cl)c12
 xref: CAS:18656-89-8;   Patent:US5358854;   Reaxys:1555937


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    chemical entity 5080
      molecular entity 5051
        polyatomic entity 5032
          heteroatomic molecular entity 5001
            halide 315
              organohalogen compound 302
                organochlorine compound 250
                  5-bromo-4-chloro-3-indolyl beta-D-glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            heteroorganic entity 4768
                              organochalcogen compound 4730
                                organooxygen compound 4692
                                  carbohydrates and carbohydrate derivatives 123
                                    carbohydrate 125
                                      carbohydrate derivative 114
                                        glycosyl compound 50
                                          glycoside 25
                                            glycosiduronic acid 0
                                              glucosiduronic acid 0
                                                beta-D-glucosiduronic acid 0
                                                  5-bromo-4-chloro-3-indolyl beta-D-glucuronide 0
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