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CHEBI:145231 - N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine

ChEBI IDCHEBI:145231
ChEBI NameN-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine
Stars
ASCII NameN-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine
DefinitionA dipeptide that is N-[(2S)-2-aminobutanoyl]glycine in which the terminal amino group has been acylated by formal condensation of the 5-carboxy group of 2-oxopentanedioic acid.
Last Modified29 October 2019
SubmitterGareth Owen
DownloadsMolfile
FormulaC11H16N2O7
Net Charge0
Average Mass288.256
Monoisotopic Mass288.09575
SMILESCC[C@H](NC(=O)CCC(=O)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C11H16N2O7/c1-2-6(10(18)12-5-9(16)17)13-8(15)4-3-7(14)11(19)20/h6H,2-5H2,1H3,(H,12,18)(H,13,15)(H,16,17)(H,19,20)/t6-/m0/s1
InChIKeyRRBLCHIJUKCUNR-LURJTMIESA-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)
N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine (CHEBI:145231) is a dipeptide (CHEBI:46761)
N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine (CHEBI:145231) is a oxo dicarboxylic acid (CHEBI:36145)
N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine (CHEBI:145231) is a secondary carboxamide (CHEBI:140325)
N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine (CHEBI:145231) is conjugate acid of N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine(2−) (CHEBI:144697)
Incoming Relation(s)
N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine(2−) (CHEBI:144697) is conjugate base of N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycine (CHEBI:145231)
IUPAC Name 
5-({(2S)-1-[(carboxymethyl)amino]-1-oxobutan-2-yl}amino)-2,5-dioxopentanoic acid
Synonyms  Source
CLONE_N-(4-carboxy-4-oxobutanoyl)-L-ethylglycylglycineChEBI
N-[(2S)-2-(4-carboxy-4-oxobutanoylamino)butanoyl]glycineChEBI
Citations