Structure Database (LMSD)

Common Name
N-(3S-hydroxy-butanoyl)-homoserine lactone
Systematic Name
N-(3S-hydroxy-butanoyl)-homoserine lactone
Synonyms
  • N-(3-(S)-Hydroxybutyryl)homoserine lactone
LM ID
LMFA08030005
Status
Active
Exact Mass
Calculate m/z
187.084459
Formula
C8H13NO4
Show lipids differing only in stereochemistry/bond geometry
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MDLMOL SDF CSV TSV
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Main

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
Fatty acyl homoserine lactones [FA0803]
Fatty Acids and Conjugates [FA01]
Hydroxy fatty acids [FA0105]

String Representations

InChiKey (Click to copy)
FIXDIFPJOFIIEC-WDSKDSINSA-N
InChi (Click to copy)
InChI=1S/C8H13NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h5-6,10H,2-4H2,1H3,(H,9,11)/t5-,6-/m0/s1
SMILES (Click to copy)
[C@@H]1(NC(C[C@](O)([H])C)=O)C(OCC1)=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Vibrio harveyi (#669)
Gammaproteobacteria (#1236)
Biosynthesis and stereochemistry of the autoinducer controlling luminescence in Vibrio harveyi.,
J. Bacteriol., 1993
Pubmed ID: 8509338

Other Databases

KEGG ID
C11842
CHEBI ID
29637
PubChem CID
92213239

Calculated Physicochemical Properties

Heavy Atoms 13
Rings 1
Aromatic Rings
Rotatable Bonds 3
Van der Waals Molecular Volume 175.48
Topological Polar Surface Area 77.70
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 0.05
Molar Refractivity 45.32

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Created at
-
Updated at
18th Nov 2020