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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:2-thiophenecarboxylic acid [3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl] ester
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Accession:CHEBI:116769 term browser browse the term
Definition:A thiophenecarboxylic acid that has formula C15H17NO3S2.
Synonyms:related_synonym: Formula=C15H17NO3S2;   InChI=1S/C15H17NO3S2/c1-10(2)13(19-15(18)12-6-4-8-21-12)14(17)16-9-11-5-3-7-20-11/h3-8,10,13H,9H2,1-2H3,(H,16,17);   InChIKey=YRMWNJJGZIIGOS-UHFFFAOYSA-N;   SMILES=CC(C)C(C(=O)NCC1=CC=CS1)OC(=O)C2=CC=CS2
 xref: LINCS:LSM-28221


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      chemical role 19422
        donor 18873
          Bronsted acid 18783
            oxoacid 18725
              carbon oxoacid 18597
                carboxylic acid 18594
                  thiophenecarboxylic acid 14
                    2-thiophenecarboxylic acid [3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl] ester 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic heterocyclic compound 18862
                                  organosulfur heterocyclic compound 10025
                                    thiophenes 220
                                      thiophenecarboxylic acid 14
                                        2-thiophenecarboxylic acid [3-methyl-1-oxo-1-(thiophen-2-ylmethylamino)butan-2-yl] ester 0
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