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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 19875
    chemical entity 19875
      molecular entity 19872
        polyatomic entity 19786
          heteroatomic molecular entity 19711
            halide 18130
              organohalogen compound 17879
                organochlorine compound 17674
                  5-bromo-4-chloro-3-indolyl beta-D-glucuronide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19875
    subatomic particle 19873
      composite particle 19873
        hadron 19873
          baryon 19873
            nucleon 19873
              atomic nucleus 19873
                atom 19873
                  main group element atom 19763
                    p-block element atom 19763
                      carbon group element atom 19668
                        carbon atom 19657
                          organic molecular entity 19657
                            heteroorganic entity 19248
                              organochalcogen compound 18956
                                organooxygen compound 18879
                                  carbohydrates and carbohydrate derivatives 12268
                                    carbohydrate 12268
                                      carbohydrate derivative 11894
                                        glycosyl compound 10944
                                          glycoside 9227
                                            glycosiduronic acid 141
                                              glucosiduronic acid 141
                                                beta-D-glucosiduronic acid 47
                                                  5-bromo-4-chloro-3-indolyl beta-D-glucuronide 0
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