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CHEBI:149548 - emetine(2+)

ChEBI IDCHEBI:149548
ChEBI Nameemetine(2+)
Stars
DefinitionAn ammonium ion derivative obtained from protonation of the nitrogens of emetine. It is the major species at pH 7.3.
Last Modified12 June 2024
SubmitterAdnan
DownloadsMolfile
FormulaC29H42N2O4
Net Charge+2
Average Mass482.665
Monoisotopic Mass482.31336
SMILES[H][C@]1(C[C@@]2([H])[NH2+]CCc3cc(OC)c(OC)cc32)C[C@@]2([H])c3cc(OC)c(OC)cc3CC[NH+]2C[C@@H]1CC
InChIInChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/p+2/t18-,21-,24+,25-/m0/s1
InChIKeyAUVVAXYIELKVAI-CKBKHPSWSA-P
ChEBI Ontology
Outgoing Relation(s)
emetine(2+) (CHEBI:149548) is a ammonium ion derivative (CHEBI:35274)
emetine(2+) (CHEBI:149548) is conjugate acid of emetine (CHEBI:4781)
Incoming Relation(s)
emetine dihydrochloride (CHEBI:149551) has part emetine(2+) (CHEBI:149548)
emetine (CHEBI:4781) is conjugate base of emetine(2+) (CHEBI:149548)
IUPAC Name 
(2S)-6',7',10,11-tetramethoxyemetan-2',5-diium
Synonym  Source
emetine dicationChEBI
UniProt Name  Source
emetineUniProt
Manual XrefsDatabases
CPD-14817MetaCyc
Citations