KEGG   COMPOUND: C11841
Entry
C11841                      Compound                               

Name
N-(3-Oxooctanoyl)homoserine lactone;
N-(3-Oxooctanoyl)-L-homoserine lactone;
OOHL
Formula
C12H19NO4
Exact mass
241.1314
Mol weight
241.2836
Structure
Pathway
map02024  Quorum sensing
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA08 Fatty amides
   FA0803 Fatty acyl homoserine lactones
    C11841  N-(3-Oxooctanoyl)homoserine lactone
Other DBs
CAS: 147795-39-9
PubChem: 14003
ChEMBL: CHEMBL463321
LIPIDMAPS: LMFA08030004
PDB-CCD: LAE[PDBj]
3DMET: B04329
NIKKAJI: J533.603A
KCF data

ATOM        17
            1   C1x C    28.5647  -14.8498
            2   C1y C    28.1455  -16.1846
            3   C7x C    29.2881  -16.9868
            4   O7x O    30.4087  -16.1546
            5   C1x C    29.9617  -14.8311
            6   C1a C    17.2228  -16.8801
            7   C1b C    18.4365  -16.1814
            8   C1b C    19.6505  -16.8801
            9   C1b C    20.8644  -16.1814
            10  C1b C    22.0781  -16.8801
            11  C5a C    23.2920  -16.1814
            12  C1b C    24.5059  -16.8801
            13  C5a C    25.7197  -16.1814
            14  N1b N    26.9265  -16.8801
            15  O5a O    25.7197  -14.7769
            16  O5a O    23.2920  -14.7769
            17  O6a O    29.2367  -18.3909
BOND        17
            1     8   9 1
            2     4   5 1
            3     9  10 1
            4     5   1 1
            5    10  11 1
            6    11  12 1
            7     1   2 1
            8    12  13 1
            9     6   7 1
            10   13  14 1
            11    2  14 1 #Up
            12    2   3 1
            13   13  15 2
            14    7   8 1
            15   11  16 2
            16    3   4 1
            17    3  17 2

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