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CHEBI:167199 - fumisoquin A(1+)

ChEBI IDCHEBI:167199
ChEBI Namefumisoquin A(1+)
Stars
DefinitionA primary ammonium ion that is the conjugate acid of fumisoquin A, obtained from the protonation of the amino group. Major microspecies at pH 7.3.
Last Modified20 January 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC13H17N2O5
Net Charge+1
Average Mass281.288
Monoisotopic Mass281.11320
SMILES[H][C@@]12[C@H](O)c3ccc(O)c(O)c3CN1C(=O)[C@@H]([NH3+])C[C@@H]2O
InChIInChI=1S/C13H16N2O5/c14-7-3-9(17)10-12(19)5-1-2-8(16)11(18)6(5)4-15(10)13(7)20/h1-2,7,9-10,12,16-19H,3-4,14H2/p+1/t7-,9-,10+,12+/m0/s1
InChIKeyDGLVASJKYCTLGR-QAHWYCSRSA-O
ChEBI Ontology
Outgoing Relation(s)
fumisoquin A(1+) (CHEBI:167199) is a primary ammonium ion (CHEBI:65296)
fumisoquin A(1+) (CHEBI:167199) is conjugate acid of fumisoquin A (CHEBI:167211)
Incoming Relation(s)
fumisoquin A (CHEBI:167211) is conjugate base of fumisoquin A(1+) (CHEBI:167199)
IUPAC Name 
(1S,3S,11R,11aR)-1,7,8,11-tetrahydroxy-4-oxo-1,3,4,6,11,11a-hexahydro-2H-pyrido[1,2-b]isoquinolin-3-aminium
Synonyms  Source
fumisoquin A cationChEBI
(1S,3S,11R,11aR)-1,7,8,11-tetrahydroxy-4-oxo-1H,2H,3H,4H,6H,11H,11aH-pyrido[1,2-b]isoquinolin-3-aminiumIUPAC
UniProt Name  Source
fumisoquin AUniProt
Citations