EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:133182 - N-acetyl-1-methyl-L-histidinate

ChEBI IDCHEBI:133182
ChEBI NameN-acetyl-1-methyl-L-histidinate
Stars
ASCII NameN-acetyl-1-methyl-L-histidinate
DefinitionA monocarboxylic acid anion that is the conjugate base of N-acetyl-1-methyl-L-histidine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified26 August 2016
SubmitterSteve
DownloadsMolfile
FormulaC9H12N3O3
Net Charge-1
Average Mass210.213
Monoisotopic Mass210.08841
SMILESCC(=O)N[C@@H](Cc1cn(C)cn1)C(=O)[O-]
InChIInChI=1S/C9H13N3O3/c1-6(13)11-8(9(14)15)3-7-4-12(2)5-10-7/h4-5,8H,3H2,1-2H3,(H,11,13)(H,14,15)/p-1/t8-/m0/s1
InChIKeyGVRCKHXHWSYDEF-QMMMGPOBSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (24625756)
Roles Classification
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
N-acetyl-1-methyl-L-histidinate (CHEBI:133182) has role human blood serum metabolite (CHEBI:85234)
N-acetyl-1-methyl-L-histidinate (CHEBI:133182) is a monocarboxylic acid anion (CHEBI:35757)
N-acetyl-1-methyl-L-histidinate (CHEBI:133182) is conjugate base of N-acetyl-1-methyl-L-histidine (CHEBI:133181)
Incoming Relation(s)
N-acetyl-1-methyl-L-histidine (CHEBI:133181) is conjugate acid of N-acetyl-1-methyl-L-histidinate (CHEBI:133182)
IUPAC Name 
(2S)-2-acetamido-3-(1-methyl-1H-imidazol-4-yl)propanoate
Synonyms  Source
N-acetyl-1-methylhistidinateChEBI
N-acetyl-1-methylhistidineChEBI
Citations