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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:1-(tert-butylamino)-3-(2-tert-butylphenoxy)-2-propanol
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Accession:CHEBI:104027 term browser browse the term
Definition:An alkylbenzene that has formula C17H29NO2.
Synonyms:related_synonym: Formula=C17H29NO2;   InChI=1S/C17H29NO2/c1-16(2,3)14-9-7-8-10-15(14)20-12-13(19)11-18-17(4,5)6/h7-10,13,18-19H,11-12H2,1-6H3;   InChIKey=UHWJPVZFBUZSSG-UHFFFAOYSA-N;   SMILES=CC(C)(C)C1=CC=CC=C1OCC(CNC(C)(C)C)O
 xref: LINCS:LSM-15385


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  CHEBI ontology 0
    role 0
      chemical role 0
        environmental contaminant 0
          benzene 0
            alkylbenzene 0
              1-(tert-butylamino)-3-(2-tert-butylphenoxy)-2-propanol 0
Path 2
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        hydrogen molecular entity 0
                          hydrides 0
                            organic hydride 0
                              organic fundamental parent 0
                                hydrocarbon 0
                                  cyclic hydrocarbon 0
                                    monocyclic hydrocarbon 0
                                      annulene 0
                                        aromatic annulene 0
                                          benzene 0
                                            alkylbenzene 0
                                              1-(tert-butylamino)-3-(2-tert-butylphenoxy)-2-propanol 0
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