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CHEBI:229730 - herquline C(1+)

ChEBI IDCHEBI:229730
ChEBI Nameherquline C(1+)
Stars
DefinitionA secondary ammonium ion that is the conjugate acid of herquline C resulting from the protonation of the secondary amino group; Major species at pH 7.3.
Last Modified14 January 2025
SubmitterAdnan
DownloadsMolfile
FormulaC19H27N2O2
Net Charge+1
Average Mass315.437
Monoisotopic Mass315.20670
SMILES[H][C@@]12CC3=C[C@@]([H])(C(=O)CC3)[C@@]3([H])C=C(CCC3=O)C[C@@]([H])(C[NH2+]1)N(C)C2
InChIInChI=1S/C19H26N2O2/c1-21-11-14-6-12-2-4-18(22)16(8-12)17-9-13(3-5-19(17)23)7-15(21)10-20-14/h8-9,14-17,20H,2-7,10-11H2,1H3/p+1/t14-,15-,16+,17+/m0/s1
InChIKeyIKEHAWAEPHQJSM-MWDXBVQZSA-O
ChEBI Ontology
Outgoing Relation(s)
herquline C(1+) (CHEBI:229730) is a secondary ammonium ion (CHEBI:137419)
herquline C(1+) (CHEBI:229730) is conjugate acid of herquline C (CHEBI:229729)
Incoming Relation(s)
herquline C (CHEBI:229729) is conjugate base of herquline C(1+) (CHEBI:229730)
Synonyms  Source
(+)-herquline C(1+)ChEBI
herquline C cationChEBI
UniProt Name  Source
herquline CUniProt