KEGG   COMPOUND: C11837
Entry
C11837                      Compound                               

Name
N-Butyryl-L-homoserine lactone
Formula
C8H13NO3
Exact mass
171.0895
Mol weight
171.1937
Structure
Reaction
Pathway
map02024  Quorum sensing
map02025  Biofilm formation - Pseudomonas aeruginosa
Enzyme
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA08 Fatty amides
   FA0803 Fatty acyl homoserine lactones
    C11837  N-Butyrylhomoserine lactone
Other DBs
PubChem: 13999
ChEBI: 29643
ChEMBL: CHEMBL207316
LIPIDMAPS: LMFA08030002
PDB-CCD: HL4[PDBj]
3DMET: B05548
NIKKAJI: J533.613I
LinkDB
KCF data

ATOM        12
            1   C1y C    39.3883  -22.4475
            2   C7x C    40.5071  -23.2993
            3   O7x O    41.6591  -22.4934
            4   C1x C    41.2506  -21.1595
            5   C1x C    39.8504  -21.1242
            6   C1a C    33.2143  -23.0247
            7   C1b C    34.4268  -22.3127
            8   C1b C    35.6537  -23.0108
            9   C5a C    36.8729  -22.2992
            10  N1b N    38.0996  -22.9975
            11  O5a O    36.8592  -20.8885
            12  O6a O    40.5105  -24.6371
BOND        12
            1     1   2 1
            2     6   7 1
            3     2   3 1
            4     7   8 1
            5     3   4 1
            6     8   9 1
            7     4   5 1
            8     9  10 1
            9     1  10 1 #Up
            10    5   1 1
            11    9  11 2
            12    2  12 2

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