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CHEBI:27596 - Nπ-methyl-L-histidine

ChEBI IDCHEBI:27596
ChEBI NameNπ-methyl-L-histidine
Stars
ASCII NameN(pros)-methyl-L-histidine
DefinitionA L-histidine derivative that is L-histidine substituted by a methyl group at position 3 on the imidazole ring.
Secondary ChEBI IDsCHEBI:7067, CHEBI:19854, CHEBI:21445
Last Modified21 January 2016
DownloadsMolfile
FormulaC7H11N3O2
Net Charge0
Average Mass169.184
Monoisotopic Mass169.08513
SMILESCn1cncc1C[C@H](N)C(=O)O
InChIInChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1
InChIKeyJDHILDINMRGULE-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (24009031)
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (24678285) Source: yeast.sf.net
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 Roles:
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
Nπ-methyl-L-histidine (CHEBI:27596) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
Nπ-methyl-L-histidine (CHEBI:27596) has role human metabolite (CHEBI:77746)
Nπ-methyl-L-histidine (CHEBI:27596) is a L-histidine derivative (CHEBI:84076)
Nπ-methyl-L-histidine (CHEBI:27596) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
Nπ-methyl-L-histidine (CHEBI:27596) is tautomer of Nπ-methyl-L-histidine zwitterion (CHEBI:143076)
Incoming Relation(s)
Nπ-methyl-L-histidine residue (CHEBI:43903) is substituent group from Nπ-methyl-L-histidine (CHEBI:27596)
Nπ-methyl-L-histidine zwitterion (CHEBI:143076) is tautomer of Nπ-methyl-L-histidine (CHEBI:27596)
IUPAC Name 
Nπ-methyl-L-histidine
Synonyms  Source
N(pai)-Methyl-L-histidineKEGG COMPOUND
1-MethylhistidineKEGG COMPOUND
(2S)-2-amino-3-(1-methyl-1H-imidazol-5-yl)propanoic acidIUPAC
3-methylhistidineChemIDplus
3-MethylhistidineKEGG COMPOUND
N-pros-Methyl-L-histidineKEGG COMPOUND
Manual XrefsDatabases
C01152KEGG COMPOUND
MHSPDBeChem
HMDB0000479HMDB
Registry NumbersSources
Gmelin:1568650Gmelin
Reaxys:83651Reaxys
CAS:368-16-1ChemIDplus
CAS:368-16-1KEGG COMPOUND
Citations