EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:229756 - ambiguine H(1+)

ChEBI IDCHEBI:229756
ChEBI Nameambiguine H(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of ambiguine H resulting from the protonation of the isocyano group; Major microspecies at pH 7.3.
Last Modified13 March 2024
SubmitterAnne Morgat
DownloadsMolfile
FormulaC26H33N2
Net Charge+1
Average Mass373.564
Monoisotopic Mass373.26383
SMILES[H][C@@]12c3c(C(C)(C)C=C)nc4cccc(c34)C(C)(C)[C@@]1([H])CC[C@](C)(C=C)[C@@H]2[N+]#C
InChIInChI=1S/C26H33N2/c1-9-24(3,4)22-21-19-16(12-11-13-18(19)28-22)25(5,6)17-14-15-26(7,10-2)23(27-8)20(17)21/h8-13,17,20,23,28H,1-2,14-15H2,3-7H3/q+1/t17-,20-,23+,26-/m0/s1
InChIKeyKQWAKTWJWYLNME-CSOFANMDSA-N
ChEBI Ontology
Outgoing Relation(s)
ambiguine H(1+) (CHEBI:229756) is a organic cation (CHEBI:25697)
ambiguine H(1+) (CHEBI:229756) is conjugate acid of ambiguine H (CHEBI:65400)
Incoming Relation(s)
ambiguine H (CHEBI:65400) is conjugate base of ambiguine H(1+) (CHEBI:229756)
IUPAC Name 
(6aS,9R,10R,10aS)-9-ethenyl-6,6,9-trimethyl-1-(2-methylbut-3-en-2-yl)-N-methylidyne-2,6,6a,7,8,9,10,10a-octahydronaphtho[1,2,3-cd]indol-10-aminium
Synonyms  Source
ambiguine H cationChEBI
(+)-ambiguine H(1+)ChEBI
UniProt Name  Source
ambiguine HUniProt
Citations