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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:(3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid
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Accession:CHEBI:89282 term browser browse the term
Definition:A steroid glucosiduronic acid that has formula C32H51NO12.
Synonyms:related_synonym: (2S,3S,4S,5R,6R)-6-{[(1S,2S,5R,7R,9R,10R,11S,15R,16S)-14-[(2R)-4-[(carboxymethyl)carbamoyl]butan-2-yl]-9,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;   Formula=C32H51NO12;   Glycocholic acid 3-glucuronide;   InChI=1S/C32H51NO12/c1-14(4-7-22(36)33-13-23(37)38)17-5-6-18-24-19(12-21(35)32(17,18)3)31(2)9-8-16(10-15(31)11-20(24)34)44-30-27(41)25(39)26(40)28(45-30)29(42)43/h14-21,24-28,30,34-35,39-41H,4-13H2,1-3H3,(H,33,36)(H,37,38)(H,42,43)/t14-,15+,16-,17?,18+,19+,20-,21+,24+,25+,26+,27-,28+,30-,31+,32-/m1/s1;   InChIKey=BWWWIHHYPYDOJQ-BSGVGGAOSA-N;   SMILES=C1[C@H](C[C@@]2([C@](C1)([C@@]3([C@@]([C@@H](C2)O)([C@]4([C@]([C@H](C3)O)(C(CC4)[C@@H](CCC(NCC(O)=O)=O)C)C)[H])[H])[H])C)[H])O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(O)=O)O)O)O
 xref: CAS:99794-78-2;   HMDB:HMDB0002472;   PMID:22624806;   PMID:6120809



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  CHEBI ontology 501
    chemical entity 501
      atom 501
        nonmetal atom 494
          carbon atom 482
            organic molecular entity 482
              lipid 110
                steroid 40
                  steroid glucosiduronic acid 1
                    (3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 501
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            heteroorganic entity 478
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbohydrates and carbohydrate derivatives 48
                                    carbohydrate 48
                                      carbohydrate derivative 43
                                        glycosyl compound 34
                                          glycoside 29
                                            glycosiduronic acid 1
                                              glucosiduronic acid 1
                                                steroid glucosiduronic acid 1
                                                  (3a,5b,7a,12a)-24-[(carboxymethyl)amino]-1,12-dihydroxy-24-oxocholan-3-yl-b-D-Glucopyranosiduronic acid 0
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