KEGG   COMPOUND: C21201
Entry
C21201                      Compound                               

Name
N-3-Oxo-dodecanoyl-L-homoserine lactone;
3-Oxo-C12-HSL;
3-Oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-dodecanamide
Formula
C16H27NO4
Exact mass
297.194
Mol weight
297.3899
Structure
Pathway
map02024  Quorum sensing
map02025  Biofilm formation - Pseudomonas aeruginosa
Other DBs
CAS: 168982-69-2
PubChem: 316933499
ChEMBL: CHEMBL8483
PDB-CCD: OHN[PDBj]
LinkDB
KCF data

ATOM        21
            1   C1y C    21.7361  -15.7996
            2   C1x C    22.0955  -14.3872
            3   C1x C    23.4832  -14.3839
            4   O7x O    23.9814  -15.6813
            5   C7x C    22.9018  -16.5562
            6   C1b C    18.1039  -16.4812
            7   C5a C    19.3191  -15.7887
            8   N1b N    20.5265  -16.4948
            9   O6a O    22.8939  -17.9584
            10  O5a O    19.3053  -14.3908
            11  C5a C    16.9228  -15.7580
            12  C1b C    15.7097  -16.4582
            13  C1b C    14.5308  -15.7439
            14  C1b C    13.3187  -16.4437
            15  O5a O    16.9414  -14.3288
            16  C1b C    12.0876  -15.7500
            17  C1b C    10.8751  -16.4500
            18  C1b C     9.6627  -15.7500
            19  C1b C     8.4503  -16.4500
            20  C1b C     7.2378  -15.7500
            21  C1a C     6.0254  -16.4500
BOND        21
            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
            16   14  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1

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