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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 19834
    chemical entity 19832
      molecular entity 19832
        polyatomic entity 19790
          heteroatomic molecular entity 19747
            halide 18638
              organohalogen compound 18510
                organochlorine compound 18305
                  5-bromo-4-chloro-3-indolyl beta-D-glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    p-block element atom 19782
                      carbon group element atom 19730
                        carbon atom 19727
                          organic molecular entity 19727
                            heteroorganic entity 19484
                              organochalcogen compound 19243
                                organooxygen compound 19158
                                  carbohydrates and carbohydrate derivatives 15276
                                    carbohydrate 15276
                                      carbohydrate derivative 14282
                                        glycosyl compound 13042
                                          glycoside 11827
                                            glycosiduronic acid 190
                                              glucosiduronic acid 190
                                                beta-D-glucosiduronic acid 47
                                                  5-bromo-4-chloro-3-indolyl beta-D-glucuronide 0
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