Bactam (CED0016334)

Record Information

Version

1.0

Creation Date

2026-04-05 13:39:29 UTC

Update Date

2026-08-18 20:08:25 UTC

Accession Number

CHEM103000

Identification

Common Name

Bactam

Class

Small Molecule

Description

Bactam is an organic compound with the chemical formula C12H20N4O6S and an average molecular weight of 348.37 g/mol. Bactam belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This compound is identified as being found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically beta-lactam antibacterials. The recorded route of exposure for this substance is intravenous. Bactam acts on six recorded protein targets, functioning as an inhibitor of Beta-lactamase TEM (bla), Beta-lactamase SHV-1 (bla), Beta-lactamase (blaCTX-M-27), and Beta-lactamase (KPC-2), as well as two other proteins.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Relebactam anhydrous	MeSH
(2S,5R)-7-oxo-N-(4-Piperidinyl)-6-(sulfooxy)-1,6-diazabicyclo(3.2.1)octane-2-carboxamide	MeSH

Chemical Formula

C₁₂H₂₀N₄O₆S

Average Molecular Mass

348.370 g/mol

Monoisotopic Mass

348.110 g/mol

CAS Registry Number

1174018-99-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

OS(=O)(=O)ON1[C@H]2C[N@]([C@@H](CC2)C(=O)NC2CCNCC2)C1=O

InChI Identifier

InChI=1S/C12H20N4O6S/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21)/t9-,10+/m1/s1

InChI Key

SMOBCLHAZXOKDQ-ZJUUUORDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Alpha amino acid amides

Alternative Parents

Substituents

Alpha-amino acid amide
Piperidinecarboxamide
2-piperidinecarboxamide
1,3-diazepane
Diazepane
Imidazolidinone
Piperidine
Imidazolidine
Organic sulfuric acid or derivatives
Carboxamide group
Secondary carboxylic acid amide
Secondary aliphatic amine
Azacycle
Organoheterocyclic compound
Secondary amine
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Carbonyl group
Organic oxygen compound
Amine
Organonitrogen compound
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-08is-8591000000-e844715aa3c75905c8ef	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-7139000000-5dc90b9d6e5c6260b5b8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000t-9131000000-0b28b45ba7f27d269880	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00ea-9620000000-cdde2ea5bc0cc22a6036	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-2039000000-f93c15fec1a33a25cfe9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000j-9852000000-7932fe7930c6f07938fd	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-7900000000-fd610f08b672012eaee2	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
6952.0	Log mg/kg	[3900:12000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
341	Beta-lactam antibacterials	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

1 pathway

Relebactam Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Beta-lactamase	Q8RL90	Pseudomonas aeruginosa	Predicted (SEA)	0.0778492
Click to view 3D structure	Beta-lactamase	Q93LQ9	Klebsiella pneumoniae	Predicted (SEA)	0.0778492
Click to view 3D structure	Beta-lactamase TEM-1	Q4GY26	Escherichia coli	Predicted (SEA)	0.233548
Click to view 3D structure	Carbapenem-hydrolyzing beta-lactamase KPC-2	Q9F663	Klebsiella pneumoniae	Predicted (SEA)	0.233548
Click to view 3D structure	Beta-lactamase	Q9L5C7	Escherichia coli	Predicted (SEA)	0.155698
Click to view 3D structure	Beta-lactamase OXA-23	Q9L4P2	Acinetobacter baumannii	Predicted (SEA)	0.311397
Click to view 3D structure	Beta-lactamase	P24735	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)	Predicted (SEA)	0.622794
Click to view 3D structure	Peptidoglycan D,D-transpeptidase MrdA	P0AD65	Escherichia coli (strain K12)	Predicted (SEA)	0.311397
Click to view 3D structure	Metallo-beta-lactamase type 2	P14488	Bacillus cereus	Predicted (SEA)	0.155698
Click to view 3D structure	Beta-lactamase	P05364	Enterobacter cloacae	Predicted (SEA)	1.40129
Click to view 3D structure	Beta-lactamase	Q8RLA6	Acinetobacter baumannii	Predicted (SEA)	0.622794
Click to view 3D structure	Beta-lactamase OXA-1	P13661	Escherichia coli	Predicted (SEA)	0.311397
Click to view 3D structure	Class A carbapenemase KPC-2	A8DS27	Escherichia coli	Predicted (SEA)	0.467095
Click to view 3D structure	Beta-lactamase TEM	P62593	Escherichia coli	Predicted (SEA)	2.80257
Click to view 3D structure	Ubiquitin carboxyl-terminal hydrolase 32	Q8NFA0	Humans	Predicted (SEA)	26.7023
Click to view 3D structure	Baculoviral IAP repeat-containing protein 8	Q96P09	Humans	Predicted (SEA)	80.5739
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	3043.59
Click to view 3D structure	Baculoviral IAP repeat-containing protein 2	Q13490	Humans	Predicted (SEA)	219.691
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	4319.62
Click to view 3D structure	Rho-associated protein kinase 1	Q13464	Humans	Predicted (SEA)	6090.53
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	6305.94
Click to view 3D structure	Rho-associated protein kinase 2	O75116	Humans	Predicted (SEA)	6220.85
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	2595.65
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	6520.73
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	3675.03