N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine (CHEBI:15781)

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ChEBI Name	N^α,N^α,N^α-trimethyl-L-histidine

ChEBI ID	CHEBI:15781

ChEBI ASCII Name	N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:21909, CHEBI:7460, CHEBI:12673

Supplier Information

Download	Molfile XML SDF

Formula

C9H15N3O2

Net Charge

Average Mass

197.23442

Monoisotopic Mass

197.11643

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)/t8-/m0/s1

InChIKey

GPPYTCRVKHULJH-QMMMGPOBSA-N

SMILES

C[N+](C)(C)[C@@H](Cc1c[nH]cn1)C([O-])=O

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	N^α,N^α,N^α-trimethyl-L-histidine (CHEBI:15781) is a N^α-methyl-L-histidines (CHEBI:21911) N^α,N^α,N^α-trimethyl-L-histidine (CHEBI:15781) is a amino-acid betaine (CHEBI:22860) N^α,N^α,N^α-trimethyl-L-histidine (CHEBI:15781) is conjugate base of N^α,N^α,N^α-trimethyl-L-histidinium(1+) (CHEBI:67049)

Incoming	N^α-(L-γ-glutamyl)-hercynyl-L-cysteine sulfoxide(1−) (CHEBI:82703) has functional parent N^α,N^α,N^α-trimethyl-L-histidine (CHEBI:15781) N^α-(L-γ-glutamyl)-hercynyl-L-selenocysteine(1−) (CHEBI:82704) has functional parent N^α,N^α,N^α-trimethyl-L-histidine (CHEBI:15781) N^α,N^α,N^α-trimethyl-L-histidinium(1+) (CHEBI:67049) is conjugate acid of N^α,N^α,N^α-trimethyl-L-histidine (CHEBI:15781)

IUPAC Name

(2S)-3-(1H-imidazol-4-yl)-2-(trimethylammonio)propanoate

Synonyms	Sources
(S)-alpha-Carboxy-N,N,N-trimethyl-1H-imidazole-4-ethanaminium hydroxide, inner salt	ChemIDplus
hercynine	UniProt
Hercynine	KEGG COMPOUND
Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine	KEGG COMPOUND

Registry Number	Type	Source
534-30-5	CAS Registry Number	ChemIDplus

Last Modified

05 July 2017