CHEBI:136516 - gramine(1+)

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ChEBI Name gramine(1+)
ChEBI ID CHEBI:136516
Definition An organic cation obtained by protonation of the tertiary amino function of gramine; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
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Formula C11H15N2
Net Charge +1
Average Mass 175.251
Monoisotopic Mass 175.124
InChI InChI=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
InChIKey OCDGBSUVYYVKQZ-UHFFFAOYSA-O
SMILES C1=CC=C2C(=C1)C(=CN2)C[NH+](C)C
ChEBI Ontology
Outgoing gramine(1+) (CHEBI:136516) is a ammonium ion (CHEBI:35274)
gramine(1+) (CHEBI:136516) is a organic cation (CHEBI:25697)
gramine(1+) (CHEBI:136516) is conjugate acid of gramine (CHEBI:28948)
Incoming gramine (CHEBI:28948) is conjugate base of gramine(1+) (CHEBI:136516)
IUPAC Name
(1H-indol-3-yl)-N,N-dimethylmethanaminium
Synonym Source
gramine UniProt
Manual Xref Database
CPD-8915 MetaCyc
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Registry Number Type Source
5951348 Reaxys Registry Number Reaxys
Last Modified
06 June 2017