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CHEBI:145797 - digoxigenin(1−)

Default Structure
ChEBI IDCHEBI:145797
ChEBI Namedigoxigenin(1−)
Stars
ASCII Namedigoxigenin(1-)
DefinitionAn organic anion that is the conjugate base of digoxigenin resulting from the deprotonation of the furanone moiety; major species at pH 7.3.
Last Modified16 July 2020
SubmitterElisabeth Coudert
DownloadsMolfile
FormulaC23H33O5
Net Charge-1
Average Mass389.512
Monoisotopic Mass389.23335
SMILES[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@@]4(C)[C@]3(O)CC[C@]4([H])c3[c-]oc(=O)c3)[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C23H33O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,12,14-19,24-25,27H,3-8,10-11H2,1-2H3/q-1/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1
InChIKeyBRHAFJDGHCKNDJ-KCZCNTNESA-N
ChEBI Ontology
Outgoing Relation(s)
digoxigenin(1−) (CHEBI:145797) is a organic anion (CHEBI:25696)
digoxigenin(1−) (CHEBI:145797) is conjugate base of digoxigenin (CHEBI:42098)
Incoming Relation(s)
digoxigenin (CHEBI:42098) is conjugate acid of digoxigenin(1−) (CHEBI:145797)
IUPAC Name 
3β,12β,14-trihydroxy-17β-(5-oxo-2,5-dihydrofuran-2-id-3-yl)-5β,14β-androstane
Synonym  Source
digoxigenin anionChEBI
UniProt Name  Source
digoxigeninUniProt
Citations