CHEBI:145798 - ouabain(1−)

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ChEBI Name ouabain(1−) ChEBI ID CHEBI:145798 ChEBI ASCII Name ouabain(1-) Definition An organic anion that is the conjugate base of ouabain resulting from the deprotonation of the 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 C29H43O12 Net Charge -1 Average Mass 583.652 Monoisotopic Mass 583.27600 InChI InChI=1S/C29H43O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h7,11,13,15-19,21-25,30-32,34-38H,3-6,8-10,12H2,1-2H3/q-1/t13-,15-,16+,17+,18+,19+,21+,22-,23+,24+,25-,26+,27-,28+,29-/m0/s1 InChIKey MPLJNVZJPLASQC-HBYQJFLCSA-N SMILES O1[C@H]([C@@H]([C@H]([C@H]([C@@H]1O[C@H]2C[C@H]([C@]3([C@@](C2)(CC[C@]4([C@]5(CC[C@@H]([C@]5(C[C@H]([C@]34[H])O)C)C=6[CH-]OC(C6)=O)O)[H])O)CO)O)O)O)O)C ChEBI Ontology Outgoing ouabain(1−) (CHEBI:145798) is a organic anion (CHEBI:25696) ouabain(1−) (CHEBI:145798) is conjugate base of ouabain (CHEBI:472805) Incoming ouabain (CHEBI:472805) is conjugate acid of ouabain(1−) (CHEBI:145798) IUPAC Name 1β,5,11α,14,19-pentahydroxy-17β-(5-oxo-2,5-dihydrofuran-2-id-3-yl)-5β,14β-androstan-3β-yl 6-deoxy-α-L-mannopyranoside Synonyms Sources ouabain UniProt ouabain anion ChEBI Citations Types Sources 31075189 PubMed citation Europe PMC 31087249 PubMed citation Europe PMC 31170971 PubMed citation Europe PMC 32326025 PubMed citation Europe PMC 32368275 PubMed citation Europe PMC 32488807 PubMed citation Europe PMC 32651756 PubMed citation Europe PMC Last Modified 16 July 2020