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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:butyl butyryllactate
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Accession:CHEBI:168668 term browser browse the term
Definition:A diester resulting from the formal condensation of the carboxy group of 2-(butanoyloxy)propanoic acid with butan-1-ol.
Synonyms:related_synonym: (1-butoxy-1-oxopropan-2-yl) butanoate;   1-butoxy-1-oxopropan-2-yl butyrate;   2-butoxy-1-methyl-2-oxoethyl butanoate;   FEMA 2190;   Formula=C11H20O4;   InChI=1S/C11H20O4/c1-4-6-8-14-11(13)9(3)15-10(12)7-5-2/h9H,4-8H2,1-3H3;   InChIKey=NORZZKKLCYMBBF-UHFFFAOYSA-N;   O-butyryllactic acid butyl ester;   SMILES=CCCCOC(=O)C(C)OC(=O)CCC;   butanoic acid 2-butoxy-1-methyl-2-oxoethyl ester;   butyl 2-(butyryloxy)propionate;   butyl O-butyryllactate;   butyl butyrolactate;   butyl butyryl lactate;   butyric acid ester with butyl lactate;   lactic acid, butyl ester, butyrate;   n-butyl n-butyryl lactate
 xref: CAS:7492-70-8;   Chemspider:22539;   FooDB:FDB016132;   HMDB:HMDB0037137;   LIPID_MAPS_instance:LMFA07010792;   PMID:30402589;   PMID:34452275;   PMID:34471210;   Reaxys:1709603



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Term Annotations click to browse term
  CHEBI ontology 19853
    role 19825
      application 19667
        food additive 16209
          flavouring agent 4867
            butyl butyryllactate 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 19797
                    p-block element atom 19797
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19492
                              organochalcogen compound 19254
                                organooxygen compound 19170
                                  carbon oxoacid 18637
                                    carboxylic acid 18634
                                      monocarboxylic acid 18009
                                        fatty acid 16844
                                          fatty acid derivative 8984
                                            fatty alcohol 6129
                                              primary fatty alcohol 5793
                                                short-chain primary fatty alcohol 5784
                                                  butan-1-ol 5726
                                                    butyl butyryllactate 0
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