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CHEBI:231755 - β-colubrine(1+)

ChEBI IDCHEBI:231755
ChEBI Nameβ-colubrine(1+)
Stars
ASCII Namebeta-colubrine(1+)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC22H25N2O3
Net Charge+1
Average Mass365.453
Monoisotopic Mass365.18597
SMILESCOc1ccc2c(c1)[C@@]13CC[NH+]4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43
InChIInChI=1S/C22H24N2O3/c1-26-13-2-3-16-15(8-13)22-5-6-23-11-12-4-7-27-17-10-19(25)24(16)21(22)20(17)14(12)9-18(22)23/h2-4,8,14,17-18,20-21H,5-7,9-11H2,1H3/p+1/t14-,17-,18-,20-,21-,22+/m0/s1
InChIKeyZTHVHELPCLGXHF-JPPAUQSISA-O
ChEBI Ontology
Outgoing Relation(s)
β-colubrine(1+) (CHEBI:231755) is a indole alkaloid cation (CHEBI:60521)
β-colubrine(1+) (CHEBI:231755) is conjugate acid of β-colubrine (CHEBI:132697)
Incoming Relation(s)
β-colubrine (CHEBI:132697) is conjugate base of β-colubrine(1+) (CHEBI:231755)
UniProt Name  Source
β-colubrineUniProt
Citations