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ChEBI
> Main
CHEBI:136516 - gramine(1+)
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ChEBI Ontology
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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
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Formula
C11H15N2
Net Charge
+1
Average Mass
175.251
Monoisotopic Mass
175.12297
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 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
gramine (
CHEBI:28948
)
is conjugate base of
gramine(1+) (
CHEBI:136516
)
IUPAC Name
(1
H
-indol-3-yl)-
N
,
N
-dimethylmethanaminium
Synonym
Source
gramine
UniProt
Manual Xref
Database
CPD-8915
MetaCyc
View more database links
Registry Number
Type
Source
5951348
Reaxys Registry Number
Reaxys
Last Modified
06 June 2017