CHEBI:67049 - Nα,Nα,Nα-trimethyl-L-histidinium(1+)

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ChEBI Name Nα,Nα,Nα-trimethyl-L-histidinium(1+)
ChEBI ID CHEBI:67049
ChEBI ASCII Name N(alpha),N(alpha),N(alpha)-trimethyl-L-histidinium(1+)
Definition A quaternary ammonium ion obtained by the protonation of the carboxy function of Nα,Nα,Nα-trimethyl-L-histidine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C9H16N3O2
Net Charge +1
Average Mass 198.24220
Monoisotopic Mass 198.12370
InChI InChI=1S/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/p+1/t8-/m0/s1
InChIKey GPPYTCRVKHULJH-QMMMGPOBSA-O
SMILES C[N+](C)(C)[C@@H](Cc1c[nH]cn1)C(O)=O
ChEBI Ontology
Outgoing Nα,Nα,Nα-trimethyl-L-histidinium(1+) (CHEBI:67049) is a quaternary ammonium ion (CHEBI:35267)
Nα,Nα,Nα-trimethyl-L-histidinium(1+) (CHEBI:67049) is conjugate acid of Nα,Nα,Nα-trimethyl-L-histidine (CHEBI:15781)
Incoming Nα,Nα,Nα-trimethyl-L-histidine (CHEBI:15781) is conjugate base of Nα,Nα,Nα-trimethyl-L-histidinium(1+) (CHEBI:67049)
IUPAC Name
(1S)-1-carboxy-2-(1H-imidazol-4-yl)-N,N,N-trimethylethanaminium
Synonym Source
Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine KEGG COMPOUND
Manual Xref Database
C05575 KEGG COMPOUND
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Registry Number Type Source
534-30-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014