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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:Valine conjugated cholic acid
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Accession:CHEBI:181900 term browser browse the term
Synonyms:exact_synonym: 3-methyl-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-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]amino]butanoic acid
 related_synonym: Formula=C29H49NO6;   InChI=1S/C29H49NO6/c1-15(2)26(27(35)36)30-24(34)9-6-16(3)19-7-8-20-25-21(14-23(33)29(19,20)5)28(4)11-10-18(31)12-17(28)13-22(25)32/h15-23,25-26,31-33H,6-14H2,1-5H3,(H,30,34)(H,35,36)/t16-,17+,18-,19-,20+,21+,22-,23+,25+,26?,28+,29-/m1/s1;   InChIKey=WVFDPCYTNIXGHI-YDGIAAFJSA-N;   SMILES=O[C@@H]1[C@]2([C@]([C@]3([C@@]([C@@]4([C@](C[C@H]3O)(C[C@H](O)CC4)[H])C)(C1)[H])[H])(CC[C@@]2([C@@H](CCC(=O)NC(C(C)C)C(O)=O)C)[H])[H])C

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        molecular messenger 0
          neurotransmitter 0
            glycine 0
              glycine derivative 0
                bile acid glycine conjugate 0
                  Valine conjugated cholic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            inorganic hydride 0
                              pnictogen hydride 0
                                nitrogen hydride 0
                                  azane 0
                                    ammonia 0
                                      organic amino compound 0
                                        amino acid 0
                                          alpha-amino acid 0
                                            L-alpha-amino acid 0
                                              serine family amino acid 0
                                                glycine 0
                                                  glycine derivative 0
                                                    bile acid glycine conjugate 0
                                                      Valine conjugated cholic acid 0
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