Molecule

(5R)-carbapenem

AlkaPlorer ID: AK014713

Synonym: '(5R)-Carbapenem-3-carboxylate'

IUPAC Name: (5R)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

SMILES: O=C(O)C1=CC[C@@H]2CC(=O)N12

InChI: InChI=1S/C7H7NO3/c9-6-3-4-1-2-5(7(10)11)8(4)6/h2,4H,1,3H2,(H,10,11)/t4-/m1/s1

InChIKey: BSIMZHVOQZIAOY-SCSAIBSYSA-N

PubChem CID: 441133

LOTUS: LTS0138688

SuperNatural Ⅲ: SN0034119-02

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pectobacterium carotovorum	Pectobacterium	Pectobacteriaceae	Enterobacterales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Molecule Weight: 153.137

TPSA？: 57.61

MolLogP？: -0.0404999999999999

Number of H-Donors: 1

Number of H-Acceptors: 2

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	8.0	ug.mL-1	10.1128/aac.00299-08
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	32.0	ug.mL-1	10.1128/aac.00824-09
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	256.0	ug.mL-1	10.1128/aac.00299-08

AKRT ID	Reaction	Reaction Link ID
AKRT019622	N[C@@H](CS)C(=O)O.O=C(O)C1=CC[C@@H]2CC(=O)N12>>NCCSC1C[C@@H]2CC(=O)N2C1C(=O)O	R10736
AKRT023038	O=C(O)[C@@H]1CC[C@@H]2CC(=O)N12>>O=C(O)C1=CC[C@@H]2CC(=O)N12	RXN-8952
AKRT023039	O=C(O)[C@@H]1CC[C@H]2CC(=O)N21>>O=C(O)C1=CC[C@@H]2CC(=O)N12	RXN-8949
AKRT023107	O=C(O)[C@H]1CC[C@@H]2CC(=O)N21>>O=C(O)C1=CC[C@@H]2CC(=O)N12	enzymemap_15442