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name Structure Reference Source Properties Activities Metabolism

N-butyryl-L-homoserine lactone

AlkaPlorer ID: AK009874

Synonym: None

IUPAC Name: N-[(3S)-2-oxooxolan-3-yl]butanamide

Structure

SMILES: CCCC(O)=N[C@H]1CCOC1=O

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InChI: InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1

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InChIKey: VFFNZZXXTGXBOG-LURJTMIESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Lyngbya majuscula Lyngbya Oscillatoriaceae Oscillatoriales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 171.19599999999997

TPSA？: 58.89000000000001

MolLogP？: 1.0585

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Chromobacterium violaceum CviR transcriptional regulator Activity nan None 10.1039/C5MD00015G
Clostridioides difficile Clostridioides difficile Inhibition nan % 10.1128/aac.00702-09
Mus musculus P388 Activity 100.4 % 10.1016/j.bmcl.2006.01.054
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Rhamnosyltransferase 1 subunit A Activity 100.0 % 10.1016/j.bmc.2011.07.044
None Unchecked Inhibition nan % 10.1016/j.bmcl.2017.05.012

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000071 *C(=O)CCC.C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CCCC(=O)N[C@H]1CCOC1=O RXN-10024
AKRT007385 CCCC(=O)N[C@H]1CCOC1=O.CSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C[S@@+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O RXN-10024
AKRT007386 CCCC(=O)N[C@H]1CCOC1=O>>*C(=O)CCC RXN-10024
AKRT007387 CCCC(=O)N[C@H]1CCOC1=O>>CCCC(=O)N[C@@H](CCO)C(=O)O RXN-10050
AKRT007388 CCCC(=O)N[C@H]1CCOC1=O>>CCCC(=O)O RXN-10043
AKRT007389 CCCC(=O)N[C@H]1CCOC1=O>>CCCC(=O)O.N[C@H]1CCOC1=O None
AKRT007390 CCCC(=O)N[C@H]1CCOC1=O>>N[C@H]1CCOC1=O RXN-10043