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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:Temocaprilat
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Accession:CHEBI:9436 term browser browse the term
Definition:A non-proteinogenic alpha-amino acid that has formula C21H24N2O5S2.
Synonyms:related_synonym: Formula=C21H24N2O5S2;   InChI=1S/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16-,18-/m0/s1;   InChIKey=KZVWEOXAPZXAFB-BQFCYCMXSA-N;   RS 5139;   SMILES=OC(=O)CN1C[C@H](SC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O)c1cccs1
 xref: CAS:110221-53-9;   HMDB:HMDB0061721;   KEGG:C11373
 xref_mesh: MESH:C069156



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Temocaprilat term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Abcc2 ATP binding cassette subfamily C member 2 affects transport
multiple interactions
increases transport
EXP ABCC2 protein affects the transport of temocaprilat
Adenosine Triphosphate promotes the reaction [ABCC2 protein results in increased transport of temocaprilat]; S-(2,4-dinitrophenyl)glutathione inhibits the reaction [ABCC2 protein results in increased transport of temocaprilat]; temocaprilat inhibits the reaction [ABCC2 protein results in increased transport of S-(2,4-dinitrophenyl)glutathione]
CTD PMID:9067317 PMID:11348856 PMID:15507541 NCBI chr 1:242,664,657...242,723,239
Ensembl chr 1:242,664,657...242,723,238
JBrowse link
G Ces1d carboxylesterase 1D increases chemical synthesis ISO CES1 protein results in increased chemical synthesis of temocaprilat CTD PMID:15908471 NCBI chr19:13,873,490...13,912,035
Ensembl chr19:13,796,623...13,912,035
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    role 19810
      application 19653
        NMR chemical shift reference compound 17960
          ammonia 17820
            organic amino compound 17820
              amino acid 15946
                alpha-amino acid 13860
                  non-proteinogenic alpha-amino acid 3795
                    Temocaprilat 2
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    main group molecular entity 19782
                      s-block molecular entity 19620
                        hydrogen molecular entity 19607
                          hydrides 19113
                            inorganic hydride 18117
                              pnictogen hydride 18106
                                nitrogen hydride 18013
                                  azane 17821
                                    ammonia 17820
                                      organic amino compound 17820
                                        amino acid 15946
                                          non-proteinogenic amino acid 3988
                                            non-proteinogenic alpha-amino acid 3795
                                              Temocaprilat 2
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