EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52433 - piperacillin(1−)

ChEBI IDCHEBI:52433
ChEBI Namepiperacillin(1−)
Stars
ASCII Namepiperacillin(1-)
Last Modified13 May 2009
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC23H26N5O7S
Net Charge-1
Average Mass516.556
Monoisotopic Mass516.15584
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c1ccccc1
InChIInChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/p-1/t13-,14-,15+,20-/m1/s1
InChIKeyIVBHGBMCVLDMKU-GXNBUGAJSA-M
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
piperacillin(1−) (CHEBI:52433) is a penicillinate anion (CHEBI:51356)
piperacillin(1−) (CHEBI:52433) is conjugate base of piperacillin (CHEBI:8232)
Incoming Relation(s)
piperacillin sodium (CHEBI:8233) has part piperacillin(1−) (CHEBI:52433)
piperacillin (CHEBI:8232) is conjugate acid of piperacillin(1−) (CHEBI:52433)
IUPAC Name 
6β-{(2R)-2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3α-carboxylate
Registry NumbersSources
Beilstein:5369991Beilstein