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CHEBI:139364 - piperacilloyl-L-lysine

ChEBI IDCHEBI:139364
ChEBI Namepiperacilloyl-L-lysine
Stars
ASCII Namepiperacilloyl-L-lysine
DefinitionAn L-lysine derivative obtained from nucleophilic cleavage of the β-lactam ring of piperacillin by the ε-amino group of the L-lysine molecule.
Last Modified19 January 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC29H41N7O9S
Net Charge0
Average Mass663.754
Monoisotopic Mass663.26865
SMILES[H][C@@]1([C@H](NC(=O)[C@H](NC(=O)N2CC(CC)NC(=O)C2=O)c2ccccc2)C(=O)NCCCC[C@H](N)C(=O)O)N[C@@H](C(=O)O)C(C)(C)S1
InChIInChI=1S/C29H41N7O9S/c1-4-16-14-36(25(40)23(39)32-16)28(45)34-18(15-10-6-5-7-11-15)22(38)33-19(24-35-20(27(43)44)29(2,3)46-24)21(37)31-13-9-8-12-17(30)26(41)42/h5-7,10-11,16-20,24,35H,4,8-9,12-14,30H2,1-3H3,(H,31,37)(H,32,39)(H,33,38)(H,34,45)(H,41,42)(H,43,44)/t16?,17-,18+,19+,20-,24+/m0/s1
InChIKeyMUXYQPRHGVEREQ-NBPNOZGJSA-N
ChEBI Ontology
Outgoing Relation(s)
piperacilloyl-L-lysine (CHEBI:139364) has functional parent piperacillin (CHEBI:8232)
piperacilloyl-L-lysine (CHEBI:139364) has part piperacilloyl group (CHEBI:139370)
piperacilloyl-L-lysine (CHEBI:139364) is a L-lysine derivative (CHEBI:25095)
Incoming Relation(s)
piperacilloyl-L-lysine residue (CHEBI:139487) is substituent group from piperacilloyl-L-lysine (CHEBI:139364)
IUPAC Name 
N6-[(2R)-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-({(2R)-2-[(5-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl}amino)acetyl]-L-lysine
Synonyms  Source
N6-piperacilloyl-L-lysineChEBI
Nε-piperacilloyl-L-lysineChEBI
piperacillin-lysineChEBI
Citations