CHEBI:145795 - digoxin(1−)

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ChEBI Name digoxin(1−) ChEBI ID CHEBI:145795 ChEBI ASCII Name digoxin(1-) Definition An organic anion that is the conjugate base of digoxin resulting from the deprotonation of furanone moiety; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Elisabeth COUDERT Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C41H63O14 Net Charge -1 Average Mass 779.942 Monoisotopic Mass 779.42233 InChI InChI=1S/C41H63O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,18-21,23-31,33-38,42-45,47-48H,6-11,13-17H2,1-5H3/q-1/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1 InChIKey MOAVUYWYFFCBNM-PUGKRICDSA-N SMILES O([C@@H]1C[C@@]2([C@](CC1)([C@@]3([C@@](CC2)([C@@]4([C@]([C@@H](C3)O)([C@H](CC4)C5=CC(O[CH-]5)=O)C)O)[H])[H])C)[H])[C@@H]6O[C@@H]([C@H]([C@H](C6)O)O[C@@H]7O[C@@H]([C@H]([C@H](C7)O)O[C@@H]8O[C@@H]([C@H]([C@H](C8)O)O)C)C)C ChEBI Ontology Outgoing digoxin(1−) (CHEBI:145795) is a organic anion (CHEBI:25696) digoxin(1−) (CHEBI:145795) is conjugate base of digoxin (CHEBI:4551) Incoming digoxin (CHEBI:4551) is conjugate acid of digoxin(1−) (CHEBI:145795) IUPAC Name 12β,14-dihydroxy-17β-(5-oxo-2,5-dihydrofuran-2-id-3-yl)-5β,14β-androstan-3β-yl 2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-D-ribo-hexopyranoside Synonyms Sources digoxin UniProt digoxin anion ChEBI Citations Types Sources 31994361 PubMed citation Europe PMC 32272101 PubMed citation Europe PMC 32464466 PubMed citation Europe PMC 32488807 PubMed citation Europe PMC 32546555 PubMed citation Europe PMC 32603789 PubMed citation Europe PMC Last Modified 16 July 2020