KEGG   COMPOUND: C21197
Entry
C21197                      Compound                               
Name
N-Hexanoyl-L-homoserine lactone;
C6-HSL;
N-[(3S)-Tetrahydro-2-oxo-3-furanyl]-hexanamide
Formula
C10H17NO3
Exact mass
199.1208
Mol weight
199.2469
Structure
Pathway
map02024  Quorum sensing
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA08 Fatty amides
   FA0803 Fatty acyl homoserine lactones
    C21197  N-Hexanoyl-L-homoserine lactone
Other DBs
CAS: 147852-83-3
PubChem: 316933495
ChEBI: 181934
LIPIDMAPS: LMFA08030025
PDB-CCD: HL6[PDBj]
LinkDB
KCF data

ATOM        14
            1   C1y C    20.4857  -15.8057
            2   C1x C    20.8452  -14.3927
            3   C1x C    22.2335  -14.3894
            4   O7x O    22.7319  -15.6873
            5   C7x C    21.6518  -16.5625
            6   C1b C    16.8521  -16.4875
            7   C5a C    18.0678  -15.7947
            8   N1b N    19.2757  -16.5011
            9   O6a O    21.6440  -17.9653
            10  O5a O    18.0540  -14.3963
            11  C1b C    15.6705  -15.7640
            12  C1b C    14.4570  -16.4645
            13  C1b C    13.2776  -15.7500
            14  C1a C    12.0651  -16.4500
BOND        14
            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

» Japanese version

KEGG   COMPOUND: C11844
Entry
C11844                      Compound                               
Name
N-Heptanoylhomoserine lactone
Formula
C11H19NO3
Exact mass
213.1365
Mol weight
213.2735
Structure
Pathway
map02024  Quorum sensing
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA08 Fatty amides
   FA0803 Fatty acyl homoserine lactones
    C11844  N-Heptanoylhomoserine lactone
Other DBs
PubChem: 14006
ChEBI: 29644
LIPIDMAPS: LMFA08030006
3DMET: B04330
NIKKAJI: J1.358.125H
LinkDB
KCF data

ATOM        15
            1   C1y C    32.1602  -17.7091
            2   C7x C    33.3016  -18.5200
            3   O7x O    34.4279  -17.6981
            4   C1x C    33.9853  -16.3657
            5   C1x C    32.5829  -16.3723
            6   C1b C    27.2059  -17.5779
            7   C1b C    28.4275  -18.2770
            8   C5a C    29.6533  -17.5794
            9   N1b N    30.8774  -18.2799
            10  C1b C    25.9871  -18.2755
            11  O5a O    29.6550  -16.1670
            12  O6a O    33.3260  -19.8430
            13  C1b C    24.7630  -17.5750
            14  C1b C    23.5443  -18.2726
            15  C1a C    22.3202  -17.5722
BOND        15
            1     7   8 1
            2     3   4 1
            3     8   9 1
            4     1   9 1 #Up
            5     4   5 1
            6     6  10 1
            7     5   1 1
            8     8  11 2
            9     2  12 2
            10    1   2 1
            11   10  13 1
            12    6   7 1
            13   13  14 1
            14    2   3 1
            15   14  15 1

» Japanese version

KEGG   COMPOUND: C21199
Entry
C21199                      Compound                               
Name
N-Octanoyl-L-homoserine lactone;
C8-HSL;
N-[(3S)-Tetrahydro-2-oxo-3-furanyl]octanamide
Formula
C12H21NO3
Exact mass
227.1521
Mol weight
227.3
Structure
Pathway
map02024  Quorum sensing
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA08 Fatty amides
   FA0803 Fatty acyl homoserine lactones
    C21199  N-Octanoyl-L-homoserine lactone
Other DBs
CAS: 147852-84-4
PubChem: 316933497
LIPIDMAPS: LMFA08030035
PDB-CCD: HTF[PDBj]
LinkDB
KCF data

ATOM        16
            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  C1b C    16.8781  -15.7817
            12  C1b C    15.6632  -16.4829
            13  C1b C    14.4825  -15.7676
            14  C1b C    13.2686  -16.4684
            15  C1b C    12.0876  -15.7500
            16  C1a C    10.8751  -16.4500
BOND        16
            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   14  15 1
            16   15  16 1

» Japanese version

KEGG   COMPOUND: C21200
Entry
C21200                      Compound                               
Name
N-3-Hydroxyoctanoyl-L-homoserine lactone;
3-OH-C8-HSL;
3-Hydroxy-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-octanamide;
N-(3-Hydroxyoctanoyl)-L-homoserine lactone
Formula
C12H21NO4
Exact mass
243.1471
Mol weight
243.2994
Structure
Pathway
map02024  Quorum sensing
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA08 Fatty amides
   FA0803 Fatty acyl homoserine lactones
    C21200  N-3-Hydroxyoctanoyl-L-homoserine lactone
Other DBs
CAS: 192883-14-0
PubChem: 316933498
ChEBI: 182509
LIPIDMAPS: LMFA08030036
LinkDB
KCF data

ATOM        17
            1   C1y C    22.8357  -15.9058
            2   C1x C    23.1959  -14.4901
            3   C1x C    24.5868  -14.4868
            4   O7x O    25.0862  -15.7872
            5   C7x C    24.0040  -16.6641
            6   C1b C    19.1952  -16.5889
            7   C5a C    20.4131  -15.8948
            8   N1b N    21.6234  -16.6026
            9   O6a O    23.9961  -18.0695
            10  O5a O    20.3993  -14.4937
            11  C1c C    18.0113  -15.8641
            12  C1b C    16.7955  -16.5658
            13  C1b C    15.6139  -15.8500
            14  C1b C    14.3990  -16.5513
            15  C1b C    13.2171  -15.8324
            16  C1a C    12.0036  -16.5329
            17  O1a O    18.0113  -14.4641
BOND        17
            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   14  15 1
            16   15  16 1
            17   11  17 1

» Japanese version

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