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CHEBI:136516 - gramine(1+)

ChEBI IDCHEBI:136516
ChEBI Namegramine(1+)
Stars
DefinitionAn organic cation obtained by protonation of the tertiary amino function of gramine; major species at pH 7.3.
Last Modified6 June 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC11H15N2
Net Charge+1
Average Mass175.255
Monoisotopic Mass175.12297
SMILESC[NH+](C)Cc1cnc2ccccc12
InChIInChI=1S/C11H14N2/c1-13(2)8-9-7-12-11-6-4-3-5-10(9)11/h3-7,12H,8H2,1-2H3/p+1
InChIKeyOCDGBSUVYYVKQZ-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
gramine(1+) (CHEBI:136516) is a ammonium ion derivative (CHEBI:35274)
gramine(1+) (CHEBI:136516) is a organic cation (CHEBI:25697)
gramine(1+) (CHEBI:136516) is conjugate acid of gramine (CHEBI:28948)
Incoming Relation(s)
gramine (CHEBI:28948) is conjugate base of gramine(1+) (CHEBI:136516)
IUPAC Name 
(1H-indol-3-yl)-N,N-dimethylmethanaminium
UniProt Name  Source
gramineUniProt
Manual XrefsDatabases
CPD-8915MetaCyc
Registry NumbersSources
Reaxys:5951348Reaxys