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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:SRS11-92
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Accession:CHEBI:173095 term browser browse the term
Definition:An ethyl ester resulting from the formal condensation of the carboxy group of 3-(benzylamino)-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis induced by erastin in HT-1080 human fibrosarcoma cells (EC50 = 6 nM).
Synonyms:exact_synonym: ethyl 3-(benzylamino)-4-(cyclohexylamino)benzoate
 related_synonym: 4-(cyclohexylamino)-3-[(phenylmethyl)amino]-benzoic acid ethyl ester;   Formula=C22H28N2O2;   InChI=1S/C22H28N2O2/c1-2-26-22(25)18-13-14-20(24-19-11-7-4-8-12-19)21(15-18)23-16-17-9-5-3-6-10-17/h3,5-6,9-10,13-15,19,23-24H,2,4,7-8,11-12,16H2,1H3;   InChIKey=VHQAJFNLPQULSV-UHFFFAOYSA-N;   SMILES=CCOC(=O)C1=CC(NCC2=CC=CC=C2)=C(NC2CCCCC2)C=C1
 xref: CAS:1467047-25-1;   PMID:30635474



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Term Annotations click to browse term
  CHEBI ontology 19810
    role 19759
      biological role 19759
        inhibitor 18584
          ferroptosis inhibitor 7513
            SRS11-92 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19809
      composite particle 19809
        hadron 19809
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19706
                    main group molecular entity 19706
                      s-block molecular entity 19490
                        hydrogen molecular entity 19485
                          hydrides 18845
                            inorganic hydride 17691
                              pnictogen hydride 17672
                                nitrogen hydride 17545
                                  azane 17280
                                    ammonia 17279
                                      organic amino compound 17279
                                        aromatic amine 13702
                                          anilines 12358
                                            substituted aniline 11851
                                              ferrostatin-1 10
                                                SRS11-92 0
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