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CHEBI:62015 - L-Ala-γ-D-Glu-meso-Dap-D-Ala

ChEBI IDCHEBI:62015
ChEBI NameL-Ala-γ-D-Glu-meso-Dap-D-Ala
Stars
ASCII NameL-Ala-gamma-D-Glu-meso-Dap-D-Ala
DefinitionA tetrapeptide comprising L-alanyl, γ-D-glutamyl, meso-diaminopimelyl and L-alanine units in a linear sequence.
Last Modified3 May 2011
SubmitterSteve
DownloadsMolfile
FormulaC18H31N5O9
Net Charge0
Average Mass461.472
Monoisotopic Mass461.21218
SMILESC[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H](CCC[C@H](N)C(=O)O)C(=O)N[C@H](C)C(=O)O)C(=O)O
InChIInChI=1S/C18H31N5O9/c1-8(19)14(25)23-12(18(31)32)6-7-13(24)22-11(5-3-4-10(20)17(29)30)15(26)21-9(2)16(27)28/h8-12H,3-7,19-20H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)(H,27,28)(H,29,30)(H,31,32)/t8-,9+,10-,11+,12+/m0/s1
InChIKeyVFGFFQOPKZHQLZ-RNWYCLNJSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
L-Ala-γ-D-Glu-meso-Dap-D-Ala (CHEBI:62015) is a tetrapeptide (CHEBI:48030)
L-Ala-γ-D-Glu-meso-Dap-D-Ala (CHEBI:62015) is conjugate acid of L-Ala-γ-D-Glu-meso-Dap-D-Ala(1−) (CHEBI:61983)
Incoming Relation(s)
L-Ala-γ-D-Glu-meso-Dap-D-Ala(1−) (CHEBI:61983) is conjugate base of L-Ala-γ-D-Glu-meso-Dap-D-Ala (CHEBI:62015)
IUPAC Name 
L-alanyl-N-[(2R,6S)-6-amino-6-carboxy-1-{[(1R)-1-carboxyethyl]amino}-1-oxohexan-2-yl]-D-glutamine
Synonym  Source
L-Ala-γ-D-Glu-Dap-D-AlaChEBI
Registry NumbersSources
Reaxys:15589905Reaxys