KEGG   COMPOUND: C21195
Entry
C21195                      Compound                               

Name
N-(3-Hydroxybutanoyl)-L-homoserine lactone;
3-Hydroxy-C4-HSL;
N-[(RS)-3-Hydroxybutyryl]-L-homoserine lactone
Formula
C8H13NO4
Exact mass
187.0845
Mol weight
187.1931
Structure
Pathway
map02024  Quorum sensing
Other DBs
CAS: 1325550-06-8
PubChem: 316933494
ChEMBL: CHEMBL446873
KCF data

ATOM        13
            1   C1y C    21.1145  -15.8048
            2   C1x C    21.4740  -14.3919
            3   C1x C    22.8622  -14.3886
            4   O7x O    23.3606  -15.6864
            5   C7x C    22.2805  -16.5616
            6   C1b C    17.4811  -16.4866
            7   C5a C    18.6967  -15.7938
            8   N1b N    19.9046  -16.5002
            9   O6a O    22.2727  -17.9643
            10  O5a O    18.6829  -14.3955
            11  C1c C    16.2996  -15.7631
            12  C1a C    15.0861  -16.4636
            13  O1a O    16.2805  -14.3625
BOND        13
            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   11  13 1

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