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The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at The data is made available under the Creative Commons License (CC 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.

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Accession:CHEBI:53773 term browser browse the term
Definition:A cardenolide glycoside compound consisting of digitoxin having an acetyl substituent at the 3-position on the D-ribo-hexopyranosyl residue at the non-reducing end.
Synonyms:exact_synonym: 3beta-[3-O-acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyloxy]-14-hydroxy-5beta-card-20(22)-enolide
 related_synonym: Acetyl-digitoxin-alpha;   Acetyldiginatin;   Acetylgitaloxin;   Acetylgitoxin;   Desglucolanatoside A;   Digitoxin 3'''-acetate;   Formula=C43H66O14;   InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1;   InChIKey=HPMZBILYSWLILX-UMDUKNJSSA-N;   SMILES=[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1;   acetildigitoxina;   acetyldigitoxin;   acetyldigitoxinum;   alpha-Acetyldigitoxin;   alpha-Acetylgitaloxin;   alpha-Monoacetyldigitoxin
 xref: Beilstein:77291;   CAS:1111-39-3;   CAS:7263-26-5;   DrugBank:DB00511;   Drug_Central:67;   KEGG:C16749;   KEGG:D06881;   KEGG:G02557;   PMID:10202961;   PMID:13443540;   PMID:13533294;   PMID:13948234;   Patent:US2776963

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Path 1
Term Annotations click to browse term
  CHEBI ontology 20089
    role 20042
      biological role 20011
        inhibitor 18844
          enzyme inhibitor 18573
            3'''-O-acetyldigitoxin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20089
    subatomic particle 20058
      composite particle 20058
        hadron 20088
          baryon 20088
            nucleon 20088
              atomic nucleus 20088
                atom 20058
                  main group element atom 19960
                    p-block element atom 19990
                      carbon group element atom 19916
                        carbon atom 19909
                          organic molecular entity 19909
                            organic group 18988
                              organic divalent group 18950
                                organodiyl group 18974
                                  carbonyl group 18903
                                    carbonyl compound 18925
                                      carboxylic ester 15960
                                        lactone 11302
                                          gamma-lactone 6805
                                            butenolide 6345
                                              cardenolides 246
                                                cardenolide glycoside 246
                                                  digitoxin 37
                                                    3'''-O-acetyldigitoxin 0
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