KEGG   COMPOUND: C11839
Entry
C11839                      Compound                               

Name
N-(3-Oxohexanoyl)homoserine lactone
Formula
C10H15NO4
Exact mass
213.1001
Mol weight
213.2304
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA08 Fatty amides
   FA0803 Fatty acyl homoserine lactones
    C11839  N-(3-Oxohexanoyl)homoserine lactone
Other DBs
CAS: 76924-95-3
PubChem: 14001
ChEBI: 29640
ChEMBL: CHEMBL16203
LIPIDMAPS: LMFA08030003
3DMET: B05549
NIKKAJI: J1.006.254C
KCF data

ATOM        15
            1   C1y C    26.9464  -16.2283
            2   C1x C    27.3069  -14.8814
            3   C1x C    28.6992  -14.8781
            4   O7x O    29.1990  -16.1096
            5   C7x C    28.1158  -16.9873
            6   C1a C    18.4483  -16.8915
            7   C1b C    19.6602  -16.1899
            8   C1b C    20.8721  -16.8987
            9   C5a C    22.0911  -16.2037
            10  C1b C    23.3025  -16.9121
            11  C5a C    24.5216  -16.2173
            12  N1b N    25.7330  -16.9257
            13  O6a O    28.1080  -18.3940
            14  O5a O    24.5078  -14.8150
            15  O5a O    22.1540  -14.8007
BOND        15
            1     7   8 1
            2     3   4 1
            3     8   9 1
            4     4   5 1
            5     9  10 1
            6     5   1 1
            7    10  11 1
            8    11  12 1
            9    12   1 1
            10    1   2 1
            11    5  13 2
            12    6   7 1
            13   11  14 2
            14    2   3 1
            15    9  15 2

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