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CHEBI:145880 - herquline A(1+)

ChEBI IDCHEBI:145880
ChEBI Nameherquline A(1+)
Stars
DefinitionA tertiary ammonium ion that is the conjugate acid of herquline A resulting from the protonation of the tertiary amino group; Major species at pH 7.3.
Last Modified7 March 2024
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC19H27N2O2
Net Charge+1
Average Mass315.437
Monoisotopic Mass315.20670
SMILES[H][C@@]12C[NH+](C)[C@@]3([H])CC4=C[C@@]([H])(C(=O)CC4)[C@@]4([H])C(=O)CC[C@]([H])(C1)[C@]4([H])N2C3
InChIInChI=1S/C19H26N2O2/c1-20-9-14-8-12-3-5-17(23)18-15-7-11(2-4-16(15)22)6-13(20)10-21(14)19(12)18/h7,12-15,18-19H,2-6,8-10H2,1H3/p+1/t12-,13+,14+,15+,18+,19+/m1/s1
InChIKeyUFKNDVKQCSBIQE-OCANJJRCSA-O
ChEBI Ontology
Outgoing Relation(s)
herquline A(1+) (CHEBI:145880) is a tertiary ammonium ion (CHEBI:137982)
herquline A(1+) (CHEBI:145880) is conjugate acid of herquline A (CHEBI:229724)
Incoming Relation(s)
(1S,7R,8R,14S)-6,9-dioxo-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),12(19)-dien-15-ium (CHEBI:146146) has functional parent herquline A(1+) (CHEBI:145880)
(1S,8R,14S)-6,9-dioxo-15,17-diazatetracyclo[12.2.2.13,7.18,12]icosa-3(20),4,6,10,12(19)-tetraen-17-ium-7-ide (CHEBI:146147) has functional parent herquline A(1+) (CHEBI:145880)
herquline A (CHEBI:229724) is conjugate base of herquline A(1+) (CHEBI:145880)
IUPAC Name 
(2S,5S,11R,11aR,14aR,14bS)-16-methyl-10,12-dioxotetradecahydro-4H-5,2-(epiminomethano)-11,7-(metheno)azacycloundecino[3,2,1-hi]indol-16-ium
Synonym  Source
herquline A cationChEBI
UniProt Name  Source
herquline AUniProt
Citations