CHEBI:70961 - histidine methyl ester

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ChEBI Name histidine methyl ester
ChEBI ID CHEBI:70961
Definition An α-amino acid ester that is the methyl ester of histidine.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB51470643
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Formula C7H11N3O2
Net Charge 0
Average Mass 169.18110
Monoisotopic Mass 169.08513
InChI InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)
InChIKey BXRMEWOQUXOLDH-UHFFFAOYSA-N
SMILES COC(=O)C(N)Cc1cnc[nH]1
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing histidine methyl ester (CHEBI:70961) has role metabolite (CHEBI:25212)
histidine methyl ester (CHEBI:70961) is a α-amino acid ester (CHEBI:46874)
histidine methyl ester (CHEBI:70961) is a histidine derivative (CHEBI:24599)
histidine methyl ester (CHEBI:70961) is a methyl ester (CHEBI:25248)
IUPAC Names
methyl 2-amino-3-(1H-imidazol-5-yl)propanoate
methyl histidinate
Synonym Source
methyl histidinate ChEBI
Registry Number Type Source
957974 Reaxys Registry Number Reaxys
Citation Type Source
22770225 PubMed citation Europe PMC
Last Modified
16 March 2015