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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:Sarcoursodeoxycholic acid
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Accession:CHEBI:181793 term browser browse the term
Synonyms:exact_synonym: 2-[[(4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]-methylamino]acetic acid
 related_synonym: Formula=C27H45NO5;   InChI=1S/C27H45NO5/c1-16(5-8-23(31)28(4)15-24(32)33)19-6-7-20-25-21(10-12-27(19,20)3)26(2)11-9-18(29)13-17(26)14-22(25)30/h16-22,25,29-30H,5-15H2,1-4H3,(H,32,33)/t16-,17+,18-,19-,20+,21+,22+,25+,26+,27-/m1/s1;   InChIKey=YZYBIGOLMMAZFK-IMLYGNJHSA-N;   SMILES=O[C@@H]1[C@]2([C@]3([C@@]([C@](CC3)([C@@H](CCC(=O)N(CC(O)=O)C)C)[H])(CC[C@@]2([C@@]4([C@](C1)(C[C@H](O)CC4)[H])C)[H])C)[H])[H]
 xref: CAS:88446-87-1;   Chemspider:107562749


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Term Annotations click to browse term
  CHEBI ontology 19893
    role 19863
      biological role 19861
        molecular messenger 18682
          neurotransmitter 11692
            glycine 3331
              glycine derivative 3321
                bile acid glycine conjugate 222
                  Sarcoursodeoxycholic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19893
    subatomic particle 19891
      composite particle 19891
        hadron 19891
          baryon 19891
            nucleon 19891
              atomic nucleus 19891
                atom 19891
                  main group element atom 19830
                    main group molecular entity 19830
                      s-block molecular entity 19664
                        hydrogen molecular entity 19646
                          hydrides 19154
                            inorganic hydride 18177
                              pnictogen hydride 18167
                                nitrogen hydride 18080
                                  azane 17885
                                    ammonia 17884
                                      organic amino compound 17884
                                        amino acid 16076
                                          alpha-amino acid 13945
                                            serine family amino acid 5758
                                              glycine 3331
                                                glycine derivative 3321
                                                  bile acid glycine conjugate 222
                                                    Sarcoursodeoxycholic acid 0
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