KEGG   COMPOUND: C21198
Entry
C21198                      Compound                               

Name
N-(3-Oxohexanoyl)-L-homoserine lactone;
3-Oxo-C6-HSL;
N-(beta-Ketocaproyl)-L-homoserine lactone
Formula
C10H15NO4
Exact mass
213.1001
Mol weight
213.2304
Structure
Pathway
map02024  Quorum sensing
Other DBs
CAS: 143537-62-6
PubChem: 316933496
ChEMBL: CHEMBL458201
PDB-CCD: 482[PDBj]
KCF data

ATOM        15
            1   C1y C    21.6987  -15.8234
            2   C1x C    22.0586  -14.4088
            3   C1x C    23.4484  -14.4055
            4   O7x O    23.9474  -15.7049
            5   C7x C    22.8661  -16.5811
            6   C1b C    18.0610  -16.5060
            7   C5a C    19.2780  -15.8124
            8   N1b N    20.4873  -16.5196
            9   O6a O    22.8582  -17.9854
            10  O5a O    19.2642  -14.4124
            11  C5a C    16.8781  -15.7817
            12  C1b C    15.6632  -16.4829
            13  C1b C    14.4825  -15.7676
            14  C1a C    13.2686  -16.4684
            15  O5a O    16.8968  -14.3503
BOND        15
            1     3   4 1
            2     4   5 1
            3     5   1 1
            4     6   7 1
            5     7   8 1
            6     1   8 1 #Up
            7     1   2 1
            8     5   9 2
            9     7  10 2
            10    2   3 1
            11    6  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   11  15 2

» Japanese version

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

» Japanese version

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