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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:(E)-3-(indol-3-yl)acrylic acid
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Accession:CHEBI:132244 term browser browse the term
Definition:An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-3-yl group.
Synonyms:exact_synonym: (2E)-3-(1H-indol-3-yl)prop-2-enoic acid
 related_synonym: 3-(3-indolyl)acrylic acid;   3-indoleacrylic acid;   3-indolylacrylic acid;   Formula=C11H9NO2;   InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+;   InChIKey=PLVPPLCLBIEYEA-AATRIKPKSA-N;   Indole-3-acrylic acid;   Indoleacrylic acid;   SMILES=C1(=CNC2=C1C=CC=C2)\\C=C\\C(=O)O;   indole-3beta-acrylic acid;   trans-3-indoleacrylic acid;   trans-beta-Indoleacrylic acid
 xref: CAS:29953-71-7;   MetaCyc:CPD-11578;   PMID:25418677;   PMID:25961404;   PMID:26924293;   Reaxys:6317
 cyclic_relationship: is_conjugate_acid_of CHEBI:131929


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19853
    role 19804
      biological role 19804
        biochemical role 19339
          metabolite 19319
            acrylic acid 3846
              (E)-3-(indol-3-yl)acrylic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19853
    subatomic particle 19851
      composite particle 19851
        hadron 19851
          baryon 19851
            nucleon 19851
              atomic nucleus 19851
                atom 19851
                  main group element atom 19744
                    p-block element atom 19744
                      carbon group element atom 19650
                        carbon atom 19639
                          organic molecular entity 19639
                            organic group 18550
                              organic divalent group 18541
                                organodiyl group 18541
                                  carbonyl group 18447
                                    carbonyl compound 18447
                                      carboxylic acid 18125
                                        monocarboxylic acid 17494
                                          alpha,beta-unsaturated monocarboxylic acid 11381
                                            acrylic acid 3846
                                              (E)-3-(indol-3-yl)acrylic acid 0
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