CHEBI:169996 - L-Histidine methyl ester

ChEBI IDCHEBI:169996
ChEBI NameL-Histidine methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H11N3O2
Net Charge0
Average Mass169.184
Monoisotopic Mass169.08513
SMILESCOC(=O)[C@@H](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)/t6-/m0/s1
InChIKeyBXRMEWOQUXOLDH-LURJTMIESA-N
Species of MetaboliteComponentSourceComments
Mus Musculus (ncbitaxon:10090)
liver (BTO:0000759) MetaboLights (MTBLS1903) Strain: C57BL/6N Mouse [THESAURUS.OWL#C37385]
blood plasma (BTO:0000131) MetaboLights (MTBLS1903) Strain: C57BL/6N Mouse [THESAURUS.OWL#C37385]
ChEBI Ontology
Outgoing Relation(s)
L-Histidine methyl ester (CHEBI:169996) is a histidine derivative (CHEBI:24599)
IUPAC Name 
methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
Manual XrefsDatabases
83857ChemSpider
Registry NumbersSources
CAS:1499-46-3ChemIDplus