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CHEBI:231864 - α-colubrine(1+)

ChEBI IDCHEBI:231864
ChEBI Nameα-colubrine(1+)
Stars
ASCII Namealpha-colubrine(1+)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC22H25N2O3
Net Charge+1
Average Mass365.453
Monoisotopic Mass365.18597
SMILES[H][C@@]12N3C(=O)C[C@]4([H])OCC=C5C[NH+]6CC[C@@]1(c1ccc(OC)cc13)[C@]6([H])C[C@]5([H])[C@]24[H]
InChIInChI=1S/C22H24N2O3/c1-26-13-2-3-15-16(8-13)24-19(25)10-17-20-14-9-18-22(15,21(20)24)5-6-23(18)11-12(14)4-7-27-17/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/p+1/t14-,17-,18-,20-,21-,22+/m0/s1
InChIKeyCAPUGADOGHKUQS-JPPAUQSISA-O
ChEBI Ontology
Outgoing Relation(s)
α-colubrine(1+) (CHEBI:231864) is a ammonium ion derivative (CHEBI:35274)
α-colubrine(1+) (CHEBI:231864) is a indole alkaloid cation (CHEBI:60521)
α-colubrine(1+) (CHEBI:231864) is conjugate acid of α-colubrine (CHEBI:132696)
Incoming Relation(s)
α-colubrine (CHEBI:132696) is conjugate base of α-colubrine(1+) (CHEBI:231864)
UniProt Name  Source
α-colubrineUniProt
Citations