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

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CHEBI:15781 - N^α,N^α,N^α-trimethyl-L-histidine

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ChEBI ID	CHEBI:15781
ChEBI Name	N^α,N^α,N^α-trimethyl-L-histidine
Stars
ASCII Name	N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine
Secondary ChEBI IDs	CHEBI:7460, CHEBI:12673, CHEBI:21909
Last Modified	5 July 2017
Downloads	Molfile

Formula	C9H15N3O2
Net Charge	0
Average Mass	197.238
Monoisotopic Mass	197.11643
SMILES	C[N+](C)(C)[C@@H](Cc1cncn1)C(=O)[O-]
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

Roles Classification

Chemical Roles:

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	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 Relation(s)
	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	Source
Nalpha,Nalpha,Nalpha-Trimethyl-L-histidine	KEGG COMPOUND
(S)-alpha-Carboxy-N,N,N-trimethyl-1H-imidazole-4-ethanaminium hydroxide, inner salt	ChemIDplus
Hercynine	KEGG COMPOUND

UniProt Name	Source
hercynine	UniProt

Manual Xrefs	Databases
C05575	KEGG COMPOUND

Registry Numbers	Sources
CAS:534-30-5	KEGG COMPOUND
CAS:534-30-5	ChemIDplus