EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:44061 - 2-[(1S)-1-aminoethyl]-1-carboxymethyl-5-hydroxy-4-methylimidazole

ChEBI IDCHEBI:44061
ChEBI Name2-[(1S)-1-aminoethyl]-1-carboxymethyl-5-hydroxy-4-methylimidazole
Stars
ASCII Name2-[(1S)-1-aminoethyl]-1-carboxymethyl-5-hydroxy-4-methylimidazole
DefinitionA hydroxyimidazole that has an imidazole core with carboxymethyl, 1-aminoethyl, methyl and hydroxy groups at the 1-, 2-, 4- and 5-positions respectively (the S enantiomer).
Last Modified9 February 2017
DownloadsMolfile
FormulaC8H13N3O3
Net Charge0
Average Mass199.210
Monoisotopic Mass199.09569
SMILESCc1nc([C@H](C)N)n(CC(=O)O)c1O
InChIInChI=1S/C8H13N3O3/c1-4(9)7-10-5(2)8(14)11(7)3-6(12)13/h4,14H,3,9H2,1-2H3,(H,12,13)/t4-/m0/s1
InChIKeyGYCBVEGTLQBIBF-BYPYZUCNSA-N
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).
ChEBI Ontology
Outgoing Relation(s)
2-[(1S)-1-aminoethyl]-1-carboxymethyl-5-hydroxy-4-methylimidazole (CHEBI:44061) is a hydroxyimidazole (CHEBI:88291)
2-[(1S)-1-aminoethyl]-1-carboxymethyl-5-hydroxy-4-methylimidazole (CHEBI:44061) is a imidazoles (CHEBI:24780)
2-[(1S)-1-aminoethyl]-1-carboxymethyl-5-hydroxy-4-methylimidazole (CHEBI:44061) is a monocarboxylic acid (CHEBI:25384)
2-[(1S)-1-aminoethyl]-1-carboxymethyl-5-hydroxy-4-methylimidazole (CHEBI:44061) is a primary amino compound (CHEBI:50994)
IUPAC Name 
{2-[(1S)-1-aminoethyl]-5-hydroxy-4-methyl-1H-imidazol-1-yl}acetic acid
Manual XrefsDatabases
MDOPDBeChem