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CHEBI:146143 - herquline B(1+)

ChEBI IDCHEBI:146143
ChEBI Nameherquline B(1+)
Stars
DefinitionA secondary ammonium ion that is the conjugate acid of herquline B resulting from the protonation of the secondary amino group; Major species at pH 7.3.
Last Modified15 January 2025
SubmitterKristian Axelsen
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-QAETUUGQSA-O
ChEBI Ontology
Outgoing Relation(s)
herquline B(1+) (CHEBI:146143) is a secondary ammonium ion (CHEBI:137419)
herquline B(1+) (CHEBI:146143) is conjugate acid of herquline B (CHEBI:66012)
Incoming Relation(s)
herquline B (CHEBI:66012) is conjugate base of herquline B(1+) (CHEBI:146143)
IUPAC Name 
(1S,7S,8S,14S)-17-methyl-6,9-dioxo-17-aza-15-azoniatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-diene
Synonym  Source
herquline B cationChEBI
Citations