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CHEBI:139368 - aztreonyl-L-lysine

ChEBI IDCHEBI:139368
ChEBI Nameaztreonyl-L-lysine
Stars
ASCII Nameaztreonyl-L-lysine
DefinitionAn L-lysine derivative obtained from nucleophilic cleavage of the β-lactam ring of aztreonam by the ε-amino group of the L-lysine molecule.
Last Modified19 January 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H31N7O10S2
Net Charge0
Average Mass581.630
Monoisotopic Mass581.15738
SMILESC[C@H](NS(=O)(=O)O)[C@H](NC(=O)/C(=N\OC(C)(C)C(=O)O)c1csc(N)n1)C(=O)NCCCC[C@H](N)C(=O)O
InChIInChI=1S/C19H31N7O10S2/c1-9(26-38(33,34)35)12(14(27)22-7-5-4-6-10(20)16(29)30)24-15(28)13(11-8-37-18(21)23-11)25-36-19(2,3)17(31)32/h8-10,12,26H,4-7,20H2,1-3H3,(H2,21,23)(H,22,27)(H,24,28)(H,29,30)(H,31,32)(H,33,34,35)/b25-13-/t9-,10-,12-/m0/s1
InChIKeyDJXBNNDQGAISJX-ADHBCBEZSA-N
ChEBI Ontology
Outgoing Relation(s)
aztreonyl-L-lysine (CHEBI:139368) has functional parent aztreonam (CHEBI:161680)
aztreonyl-L-lysine (CHEBI:139368) has part aztreonyl group (CHEBI:60429)
aztreonyl-L-lysine (CHEBI:139368) is a L-lysine derivative (CHEBI:25095)
Incoming Relation(s)
aztreonyl-L-lysine residue (CHEBI:139491) is substituent group from aztreonyl-L-lysine (CHEBI:139368)
IUPAC Name 
N6-[(2S,3S)-2-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-3-(sulfoamino)butanoyl]-L-lysine
Synonyms  Source
N6-aztreonyl-L-lysineChEBI
aztreonam-lysineChEBI
Nε-aztreonyl-L-lysineChEBI
Citations