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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:ethyl acetoacetate
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Accession:CHEBI:4893 term browser browse the term
Definition:An ethyl ester resulting from the formal condensation of the carboxy group of acetoacetic acid with ethanol.
Synonyms:related_synonym: 1-ethoxybutane-1,3-dione;   3-ketobutyric acid ethyl ester;   3-oxobutanoic acid ethyl ester;   3-oxobutyric acid ethyl ester;   Formula=C6H10O3;   InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3;   InChIKey=XYIBRDXRRQCHLP-UHFFFAOYSA-N;   SMILES=CCOC(=O)CC(C)=O;   acetoacetic acid ethyl ester;   active acetyl acetate;   diacetic ether;   ethyl 3-oxidanylidenebutanoate;   ethyl 3-oxobutanoate;   ethyl 3-oxobutyrate;   ethyl acetyl acetate;   ethyl acetylacetate;   ethyl acetylacetonate;   ethyl beta-ketobutyrate
 xref: CAS:141-97-9;   Chemspider:13865426;   FooDB:FDB003241;   HMDB:HMDB0031216;   KEGG:C03500;   MetaCyc:ETHYL-ACETOACETATE;   PDBeChem:EAC;   PMID:15084322;   PMID:1521830;   PMID:16233006;   PMID:23142514;   PMID:24010347;   PMID:25558982;   PMID:26521683;   PMID:29341217;   PMID:30890485;   PMID:31193366;   PMID:32562527;   PMID:33876098;   PMID:33920266;   PMID:7370749;   PMID:9301121;   PMID:9615478;   Reaxys:385838;   Wikipedia:Ethyl_acetoacetate



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19730
    role 19703
      biological role 19701
        antimicrobial agent 17869
          antibacterial agent 14564
            ethyl acetoacetate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19730
    subatomic particle 19728
      composite particle 19728
        hadron 19728
          baryon 19728
            nucleon 19728
              atomic nucleus 19728
                atom 19728
                  main group element atom 19676
                    p-block element atom 19676
                      carbon group element atom 19620
                        carbon atom 19616
                          organic molecular entity 19616
                            organic group 18827
                              organic divalent group 18812
                                organodiyl group 18812
                                  carbonyl group 18778
                                    carbonyl compound 18778
                                      carboxylic acid 18499
                                        monocarboxylic acid 17830
                                          fatty acid 16471
                                            short-chain fatty acid 15812
                                              fatty acid 4:0 8078
                                                butyric acid 6543
                                                  acetoacetic acid 4
                                                    ethyl acetoacetate 0
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