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CHEBI:145798 - ouabain(1−)

ChEBI IDCHEBI:145798
ChEBI Nameouabain(1−)
Stars
ASCII Nameouabain(1-)
DefinitionAn organic anion that is the conjugate base of ouabain resulting from the deprotonation of the furanone moiety; major species at pH 7.3.
Last Modified16 July 2020
SubmitterElisabeth Coudert
DownloadsMolfile

FormulaC29H43O12
Net Charge-1
Average Mass583.651
Monoisotopic Mass583.27600
SMILES[H][C@@]12CC[C@]3(O)C[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@@H](c3[c-]oc(=O)c3)CC[C@]21O
InChIInChI=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
InChIKeyMPLJNVZJPLASQC-HBYQJFLCSA-N

ChEBI Ontology
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
Synonym  Source
ouabain anionChEBI
UniProt Name  Source
ouabainUniProt
Citations