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CHEBI:51897 - carbenicillin(2−)

Default Structure
ChEBI IDCHEBI:51897
ChEBI Namecarbenicillin(2−)
Stars
ASCII Namecarbenicillin(2-)
Last Modified2 December 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC17H16N2O6S
Net Charge-2
Average Mass376.390
Monoisotopic Mass376.07400
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)C(C(=O)[O-])c1ccccc1
InChIInChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/p-2/t9?,10-,11+,14-/m1/s1
InChIKeyFPPNZSSZRUTDAP-UWFZAAFLSA-L
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)
carbenicillin(2−) (CHEBI:51897) is a penicillinate anion (CHEBI:51356)
carbenicillin(2−) (CHEBI:51897) is conjugate base of carbenicillin (CHEBI:3393)
Incoming Relation(s)
carbenicillin disodium (CHEBI:34609) has part carbenicillin(2−) (CHEBI:51897)
carbenicillin (CHEBI:3393) is conjugate acid of carbenicillin(2−) (CHEBI:51897)
IUPAC Name 
6β-(2-carboxylato-2-phenylacetamido)-2,2-dimethylpenam-3α-carboxylate
Synonym  Source
(2S,5R,6R)-6-{[carboxylato(phenyl)acetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylateIUPAC
Registry NumbersSources
Beilstein:5394984Beilstein