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CHEBI:46142 - 2-({3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid

ChEBI IDCHEBI:46142
ChEBI Name2-({3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid
Stars
ASCII Name2-({3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid
Last Modified28 November 2014
DownloadsMolfile
FormulaC15H15N3O6
Net Charge0
Average Mass333.300
Monoisotopic Mass333.09609
SMILES[H]OC(=O)c1c([H])c([H])c([H])c([H])c1C([H])([H])n1c(=O)c([H])c([H])n(C([H])([H])[C@@]([H])(C(=O)O[H])N([H])[H])c1=O
InChIInChI=1S/C15H15N3O6/c16-11(14(22)23)8-17-6-5-12(19)18(15(17)24)7-9-3-1-2-4-10(9)13(20)21/h1-6,11H,7-8,16H2,(H,20,21)(H,22,23)/t11-/m0/s1
InChIKeyUUIYULWYHDSXHL-NSHDSACASA-N
ChEBI Ontology
Outgoing Relation(s)
2-({3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid (CHEBI:46142) has functional parent benzoic acid (CHEBI:30746)
2-({3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid (CHEBI:46142) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
2-({3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acid (CHEBI:46142) is a pyrimidone (CHEBI:38337)
Synonyms  Source
(S)-1-(2-AMINO-2-CARBOXYETHYL)-3-(2-CARBOXYBENZYL)PYRIMIDINE-2,4-DIONEPDBeChem
2-({3-[(2S)-2-amino-2-carboxyethyl]-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl}methyl)benzoic acidPDBeChem
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