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

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ChEBI Name 2-[(1S)-1-aminoethyl]-1-carboxymethyl-5-hydroxy-4-methylimidazole
ChEBI ID CHEBI:44061
ChEBI ASCII Name 2-[(1S)-1-aminoethyl]-1-carboxymethyl-5-hydroxy-4-methylimidazole
Definition A 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).
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H13N3O3
Net Charge 0
Average Mass 199.20710
Monoisotopic Mass 199.09569
InChI InChI=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
InChIKey GYCBVEGTLQBIBF-BYPYZUCNSA-N
SMILES C[C@H](N)c1nc(C)c(O)n1CC(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
MDO PDBeChem
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Last Modified
09 February 2017