NP-MRD: Showing NP-Card for 3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid (NP0208668)

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Record Information

Version

2.0

Created at

2022-09-05 05:45:33 UTC

Updated at

2022-09-05 05:45:33 UTC

NP-MRD ID

NP0208668

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid

Description

N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE, also known as 3-oxo-C12-ahl or N-(3-ketododecanoyl)-L-homoserine lactone, belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom. Thus, N-3-oxo-dodecanoyl-L-homoserine lactone is considered to be a fatty amide lipid molecule. 3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid was first documented in 1999 (PMID: 10556916). N-3-OXO-DODECANOYL-L-HOMOSERINE LACTONE is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral (PMID: 16495538) (PMID: 25188245).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 48  0  0  0  0  0  0  0  0999 V2000
   -6.5980   -1.4127    1.3126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9349   -1.1720   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1028    0.0978    0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4300    0.3608   -1.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6238    1.6336   -1.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5885    1.5051   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6067    0.3969   -0.3782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8383    0.5494   -1.6541 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1297   -0.6015   -1.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1174   -0.6785   -0.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8796   -1.2125    0.3601 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4651   -0.0662   -0.9414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310   -0.2251    0.2378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8890   -0.8335    1.2455 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6403    0.3030    0.2266 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    0.1373    1.3923 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.8075   -0.4961    1.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8027    0.2685    1.8562 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2047    1.4896    2.1452 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8607    1.4834    1.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0059    2.3997    2.0729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9542   -1.0551    2.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6984   -2.5085    1.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6005   -0.9429    1.3788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7388   -1.1234   -0.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2347   -2.0359   -0.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3747   -0.0581    0.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7721    0.9187    0.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2488    0.4674   -2.0629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8204   -0.5192   -1.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2327    1.9713   -2.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3631    2.4291   -0.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0254    1.4587    0.8755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9764    2.4576   -0.1286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8830    0.2991    0.4630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1583   -0.5612   -0.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4581    0.5868   -2.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2035    1.4726   -1.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305   -0.5878   -2.8040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4896   -1.5420   -1.8153 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3564    1.0180   -1.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8898   -0.5071   -1.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9904    0.7976   -0.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9754   -0.4281    2.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7816   -1.5900    1.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9802   -0.3590   -0.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    0.3662    1.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0009   -0.3164    2.7783 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 16 15  1  0
 15 13  1  0
 13 14  2  0
 13 12  1  0
 12 10  1  0
 10 11  2  0
 10  9  1  0
  9  8  1  0
  8  7  1  0
  7  6  1  0
  6  5  1  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  1  0
 20 16  1  0
 16 44  1  1
 17 45  1  0
 17 46  1  0
 18 47  1  0
 18 48  1  0
 15 43  1  0
 12 41  1  0
 12 42  1  0
  9 39  1  0
  9 40  1  0
  8 37  1  0
  8 38  1  0
  7 35  1  0
  7 36  1  0
  6 33  1  0
  6 34  1  0
  5 31  1  0
  5 32  1  0
  4 29  1  0
  4 30  1  0
  3 27  1  0
  3 28  1  0
  2 25  1  0
  2 26  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
M  END

OHN
  Mrv0541 02241214012D          

 22 22  0  0  0  0            999 V2000
   -6.5581   -2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8437   -3.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1292   -2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4147   -3.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7002   -2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9858   -3.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2713   -2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5568   -3.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8424   -2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279   -3.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1279   -3.8255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5866   -2.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011   -3.0005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3011   -3.8255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0155   -2.5880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7300   -3.0005    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4837   -2.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0357   -3.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8162   -3.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2031   -4.3730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6232   -3.9925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7606   -2.4173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 15  1  1  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 16 22  1  6  0  0  0
 17 18  1  0  0  0  0
 18 21  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0208668

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1

> <INCHI_KEY>
PHSRRHGYXQCRPU-AWEZNQCLSA-N

> <FORMULA>
C16H27NO4

> <MOLECULAR_WEIGHT>
297.3899

> <EXACT_MASS>
297.194008357

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
34.12098628302368

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide

> <ALOGPS_LOGP>
2.90

> <JCHEM_LOGP>
2.952026656

> <ALOGPS_LOGS>
-3.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
18.298764163736983

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.310716116729928

> <JCHEM_PKA_STRONGEST_BASIC>
-3.910333054413034

> <JCHEM_POLAR_SURFACE_AREA>
72.47

> <JCHEM_REFRACTIVITY>
79.58709999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.75e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-oxo-C12-HSL

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: OHN                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0     -12.242  -4.831   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -10.908  -5.601   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.575  -4.831   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -8.241  -5.601   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.907  -4.831   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.573  -5.601   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.240  -4.831   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.906  -5.601   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.572  -4.831   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -0.239  -5.601   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      -0.239  -7.141   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       1.095  -4.831   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.429  -5.601   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       2.429  -7.141   0.000  0.00  0.00           O+0
HETATM   15  N   UNK     0       3.762  -4.831   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       5.096  -5.601   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.503  -4.974   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       7.533  -6.119   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.257  -7.133   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.112  -8.163   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0       6.763  -7.453   0.000  0.00  0.00           O+0
HETATM   22  H   UNK     0       5.153  -4.512   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   19   22                                             
CONECT   17   16   18                                                       
CONECT   18   17   21                                                       
CONECT   19   16   20   21                                                  
CONECT   20   19                                                            
CONECT   21   18   19                                                       
CONECT   22   16                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Value	Source
3-oxo-C12-AHL	ChEBI
3-oxo-C12-HSL	ChEBI
N-(3-Ketododecanoyl)-L-homoserine lactone	ChEBI
3-oxo-C8-HSL	MeSH
N-(3-Oxododecanoyl)-L-homoserine lactone	MeSH
N-(3-Oxododecanoyl)homoserine lactone	MeSH
N-3-Oxododecanoyl-L-homoserine lactone	MeSH
3O-C12-HSL	MeSH
N-(3-Oxododecanoyl)-homoserine lactone	MeSH
N3-ODDHL	MeSH

Chemical Formula

C₁₆H₂₇NO₄

Average Mass

297.3899 Da

Monoisotopic Mass

297.19401 Da

IUPAC Name

3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodecanamide

Traditional Name

3-oxo-C12-HSL

CAS Registry Number

Not Available

SMILES

[H][C@@]1(CCOC1=O)NC(=O)CC(=O)CCCCCCCCC

InChI Identifier

InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-13(18)12-15(19)17-14-10-11-21-16(14)20/h14H,2-12H2,1H3,(H,17,19)/t14-/m0/s1

InChI Key

PHSRRHGYXQCRPU-AWEZNQCLSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. N-acyl-alpha amino acids and derivatives are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

N-acyl-alpha amino acids and derivatives

Alternative Parents

Substituents

Alpha-amino acid ester
N-acyl-alpha amino acid or derivatives
Acyl-homoserine lactone
Acyl-l-homoserine lactone
Fatty amide
Gamma butyrolactone
Fatty acyl
1,3-dicarbonyl compound
N-acyl-amine
Tetrahydrofuran
Carboxamide group
Carboxylic acid ester
Ketone
Secondary carboxylic acid amide
Lactone
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
Organooxygen compound
Organic oxygen compound
Organonitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

N-acyl-L-homoserine lactone (CHEBI:44534 )
N-(3-oxododecanoyl)homoserine lactone (CHEBI:44534 )
Fatty acyl homoserine lactones (LMFA08030001 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	2.9	ALOGPS
logP	2.95	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	10.31	ChemAxon
pKa (Strongest Basic)	-3.9	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	72.47 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	79.59 m³·mol⁻¹	ChemAxon
Polarizability	34.12 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

DB08324

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

3246941

PDB ID

Not Available

ChEBI ID

44534

Good Scents ID

Not Available

References

General References

Lawrence RN, Dunn WR, Bycroft B, Camara M, Chhabra SR, Williams P, Wilson VG: The Pseudomonas aeruginosa quorum-sensing signal molecule, N-(3-oxododecanoyl)-L-homoserine lactone, inhibits porcine arterial smooth muscle contraction. Br J Pharmacol. 1999 Oct;128(4):845-8. doi: 10.1038/sj.bjp.0702870. [PubMed:10556916 ]
Sio CF, Otten LG, Cool RH, Diggle SP, Braun PG, Bos R, Daykin M, Camara M, Williams P, Quax WJ: Quorum quenching by an N-acyl-homoserine lactone acylase from Pseudomonas aeruginosa PAO1. Infect Immun. 2006 Mar;74(3):1673-82. doi: 10.1128/IAI.74.3.1673-1682.2006. [PubMed:16495538 ]
Kumar AS, Bryan JN, Kumar SR: Bacterial quorum sensing molecule N-3-oxo-dodecanoyl-L-homoserine lactone causes direct cytotoxicity and reduced cell motility in human pancreatic carcinoma cells. PLoS One. 2014 Sep 4;9(9):e106480. doi: 10.1371/journal.pone.0106480. eCollection 2014. [PubMed:25188245 ]
LOTUS database [Link]

Showing NP-Card for 3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid (NP0208668)

MOL for NP0208668 (3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid)

3D MOL for NP0208668 (3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid)

3D SDF for NP0208668 (3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid)

3D-SDF for NP0208668 (3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid)

PDB for NP0208668 (3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid)

3D PDB for NP0208668 (3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid)

SMILES for NP0208668 (3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid)

INCHI for NP0208668 (3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid)

Structure for NP0208668 (3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid)

3D Structure for NP0208668 (3-oxo-n-[(3s)-2-oxooxolan-3-yl]dodecanimidic acid)