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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 19840
    role 19816
      biological role 19814
        molecular messenger 18637
          neurotransmitter 11554
            glycine 3106
              glycine derivative 3096
                bile acid glycine conjugate 222
                  Sarcoursodeoxycholic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19840
    subatomic particle 19838
      composite particle 19838
        hadron 19838
          baryon 19838
            nucleon 19838
              atomic nucleus 19838
                atom 19838
                  main group element atom 19788
                    main group molecular entity 19788
                      s-block molecular entity 19621
                        hydrogen molecular entity 19608
                          hydrides 19112
                            inorganic hydride 18121
                              pnictogen hydride 18110
                                nitrogen hydride 18018
                                  azane 17824
                                    ammonia 17823
                                      organic amino compound 17823
                                        amino acid 15954
                                          alpha-amino acid 13870
                                            L-alpha-amino acid 12864
                                              serine family amino acid 5575
                                                glycine 3106
                                                  glycine derivative 3096
                                                    bile acid glycine conjugate 222
                                                      Sarcoursodeoxycholic acid 0
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