N(tele)-methyl-L-histidine (CHEBI:50599)

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CHEBI:50599 - N^τ-methyl-L-histidine

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ChEBI ID	CHEBI:50599
ChEBI Name	N^τ-methyl-L-histidine
Stars
ASCII Name	N(tele)-methyl-L-histidine
Definition	A L-histidine derivative in which the methyl group is at N^τ-position.
Secondary ChEBI IDs	CHEBI:18846, CHEBI:50597
Last Modified	23 October 2015
Submitter	Kirill Degtyarenko
Downloads	Molfile

Formula	C7H11N3O2
Net Charge	0
Average Mass	169.184
Monoisotopic Mass	169.08513
SMILES	Cn1cnc(C[C@H](N)C(=O)O)c1
InChI	InChI=1S/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
InChIKey	BRMWTNUJHUMWMS-LURJTMIESA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	-	PubMed (23562588)

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).
Biological Role:	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology

Outgoing Relation(s)
	N^τ-methyl-L-histidine (CHEBI:50599) has role human metabolite (CHEBI:77746)
	N^τ-methyl-L-histidine (CHEBI:50599) is a L-histidine derivative (CHEBI:84076)
	N^τ-methyl-L-histidine (CHEBI:50599) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
	N^τ-methyl-L-histidine (CHEBI:50599) is tautomer of N^τ-methyl-L-histidine zwitterion (CHEBI:192560)
Incoming Relation(s)
	N^τ-methyl-L-histidine residue (CHEBI:16367) is substituent group from N^τ-methyl-L-histidine (CHEBI:50599)
	N^τ-methyl-L-histidine zwitterion (CHEBI:192560) is tautomer of N^τ-methyl-L-histidine (CHEBI:50599)

IUPAC Name
1-methyl-L-histidine

Synonyms	Source
(2S)-2-amino-3-(1-methyl-1H-imidazol-4-yl)propanoic acid	IUPAC
1-methylhistidine	ChemIDplus
Pi-methylhistidine	HMDB

Manual Xrefs	Databases
HMDB0000001	HMDB

Registry Numbers	Sources
Gmelin:1320034	Gmelin
Beilstein:9727	Beilstein
Reaxys:9727	Reaxys
CAS:332-80-9	ChemIDplus

Citations