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CHEBI:70961 - histidine methyl ester

ChEBI IDCHEBI:70961
ChEBI Namehistidine methyl ester
Stars
DefinitionAn α-amino acid ester that is the methyl ester of histidine.
Last Modified16 March 2015
Submittermwilliams
DownloadsMolfile
FormulaC7H11N3O2
Net Charge0
Average Mass169.184
Monoisotopic Mass169.08513
SMILESCOC(=O)C(N)Cc1cncn1
InChIInChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)
InChIKeyBXRMEWOQUXOLDH-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
histidine methyl ester (CHEBI:70961) has role metabolite (CHEBI:25212)
histidine methyl ester (CHEBI:70961) is a histidine derivative (CHEBI:24599)
histidine methyl ester (CHEBI:70961) is a methyl ester (CHEBI:25248)
histidine methyl ester (CHEBI:70961) is a α-amino acid ester (CHEBI:46874)
IUPAC Names 
methyl histidinate
methyl 2-amino-3-(1H-imidazol-5-yl)propanoate
Synonym  Source
methyl histidinateChEBI
Registry NumbersSources
Reaxys:957974Reaxys
Citations