CHEBI:149548 - emetine(2+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name emetine(2+)
ChEBI ID CHEBI:149548
Definition An ammonium ion derivative obtained from protonation of the nitrogens of emetine. It is the major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C29H42N2O4
Net Charge +2
Average Mass 482.664
Monoisotopic Mass 482.31336
InChI InChI=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
InChIKey AUVVAXYIELKVAI-CKBKHPSWSA-P
SMILES C=1C(=C(C=C2C1CC[NH+]3C[C@@H]([C@@](C[C@@]23[H])([H])C[C@@]4([H])[NH2+]CCC=5C4=CC(=C(C5)OC)OC)CC)OC)OC
ChEBI Ontology
Outgoing emetine(2+) (CHEBI:149548) is a ammonium ion derivative (CHEBI:35274)
emetine(2+) (CHEBI:149548) is conjugate acid of emetine (CHEBI:4781)
Incoming 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
Synonyms Sources
emetine UniProt
emetine dication ChEBI
Manual Xref Database
CPD-14817 MetaCyc
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Citation Waiting for Citations Type Source
5985282 PubMed citation Europe PMC
Last Modified
12 June 2024