COMPOUND: C21195
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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
187.19
Structure
Mol file
KCF file
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Pathway
map02024
Quorum sensing
Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA08 Fatty amides
FA0803 Fatty acyl homoserine lactones
C21195 N-(3-Hydroxybutanoyl)-L-homoserine lactone
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Other DBs
CAS:
1325550-06-8
PubChem:
316933494
LIPIDMAPS:
LMFA08030029
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KCF data
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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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