NP-MRD: Showing NP-Card for n-(2-oxooxolan-3-yl)dodecanimidic acid (NP0245511)

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Record Information

Version

2.0

Created at

2022-09-07 06:37:11 UTC

Updated at

2022-09-07 06:37:11 UTC

NP-MRD ID

NP0245511

Secondary Accession Numbers

None

Natural Product Identification

Common Name

n-(2-oxooxolan-3-yl)dodecanimidic acid

Description

N-Dodecanoyl-DL-homoserine lactone, also known as N-dodecanoyl-DL-HSL, 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. n-(2-oxooxolan-3-yl)dodecanimidic acid is found in Cronobacter sakazakii. n-(2-oxooxolan-3-yl)dodecanimidic acid was first documented in 2018 (PMID: 28858750). Based on a literature review a small amount of articles have been published on N-Dodecanoyl-DL-homoserine lactone (PMID: 35689970) (PMID: 32849316) (PMID: 31174122) (PMID: 30502702).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 49  0  0  0  0  0  0  0  0999 V2000
    6.8783   -0.8826   -1.9002 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8575    0.1734   -1.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0169   -0.3395   -0.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0367    0.7467    0.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488    0.3226    1.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1745    1.4018    1.5626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2509    1.7956    0.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4046    0.6755   -0.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4860    0.0862    1.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3335   -1.0381    0.5022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2584   -0.6498   -0.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2198    0.4047   -0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7336    1.6456    0.1211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4960    0.2589   -0.2840 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1972   -0.9274   -0.6476 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.6754   -0.5309   -0.7970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0195   -0.3516    0.6819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4012   -1.4927    1.2497 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3002   -1.8666    0.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5318   -2.8242    0.7367 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2988   -1.4178   -1.0273 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3550   -1.6079   -2.5583 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7190   -0.3845   -2.4378 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4497    1.0633   -1.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2496    0.4135   -2.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5351   -1.2811   -0.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7318   -0.5534    0.5140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4268    0.9415   -0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6087    1.6348    0.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8169    0.1746    2.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6594   -0.6510    0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    1.1824    2.5073 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7980    2.3178    1.7876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6476    2.6522    0.8113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8674    2.1660   -0.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2280    1.0836   -0.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772   -0.0842   -0.5022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2133   -0.3734    1.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0835    0.8237    1.5363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0127   -1.3219    1.3616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7412   -1.9425    0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6061   -0.2988   -1.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8136   -1.5251   -0.9853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3161    2.4764    0.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8259   -1.4111   -1.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7736    0.4126   -1.3609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2670   -1.3641   -1.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4600    0.5638    1.0119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0916   -0.2967    0.8586 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 15  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  2 24  1  0
  2 25  1  0
  3 26  1  0
  3 27  1  0
  4 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  6 33  1  0
  7 34  1  0
  7 35  1  0
  8 36  1  0
  8 37  1  0
  9 38  1  0
  9 39  1  0
 10 40  1  0
 10 41  1  0
 11 42  1  0
 11 43  1  0
 13 44  1  0
 15 45  1  6
 16 46  1  0
 16 47  1  0
 17 48  1  0
 17 49  1  0
M  END


  Mrv1652309072208372D          

 20 20  0  0  0  0            999 V2000
    4.9202   -5.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6346   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3491   -5.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0636   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7781   -5.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4925   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2070   -5.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9215   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6359   -5.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3504   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0649   -5.8203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7794   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7794   -7.0578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4938   -5.8203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2083   -6.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9620   -5.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5140   -6.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1015   -7.2248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2945   -7.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6814   -7.6053    0.0000 O   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  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  4  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 15 19  1  0  0  0  0
 19 20  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0245511

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCC(O)=NC1CCOC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)

> <INCHI_KEY>
WILLZMOKUUPJSL-UHFFFAOYSA-N

> <FORMULA>
C16H29NO3

> <MOLECULAR_WEIGHT>
283.412

> <EXACT_MASS>
283.214743798

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
34.113086484212104

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-(2-oxooxolan-3-yl)dodecanimidic acid

> <JCHEM_LOGP>
4.438914144333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.956019385637911

> <JCHEM_PKA_STRONGEST_BASIC>
1.5494394655223835

> <JCHEM_POLAR_SURFACE_AREA>
58.89000000000001

> <JCHEM_REFRACTIVITY>
79.41559999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
11

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
N-(2-oxooxolan-3-yl)dodecanimidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0       9.184 -10.865   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.518 -11.635   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.852 -10.865   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.185 -11.635   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      14.519 -10.865   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      15.853 -11.635   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      17.186 -10.865   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      18.520 -11.635   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      19.854 -10.865   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      21.187 -11.635   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      22.521 -10.865   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      23.855 -11.635   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      23.855 -13.175   0.000  0.00  0.00           O+0
HETATM   14  N   UNK     0      25.188 -10.865   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0      26.522 -11.635   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      27.929 -11.008   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      28.959 -12.153   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      28.189 -13.486   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      26.683 -13.166   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      25.539 -14.197   0.000  0.00  0.00           O+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                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   15   20                                                  
CONECT   20   19                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   40    0
END

View in JSmol

Synonyms

Value	Source
N-Dodecanoyl-DL-HSL	MeSH

Chemical Formula

C₁₆H₂₉NO₃

Average Mass

283.4120 Da

Monoisotopic Mass

283.21474 Da

IUPAC Name

N-(2-oxooxolan-3-yl)dodecanimidic acid

Traditional Name

N-(2-oxooxolan-3-yl)dodecanimidic acid

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCC(O)=NC1CCOC1=O

InChI Identifier

InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)

InChI Key

WILLZMOKUUPJSL-UHFFFAOYSA-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

Species Name	Source	Reference
Cronobacter sakazakii	LOTUS Database	35616633

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
Fatty amide
Gamma butyrolactone
Fatty acyl
N-acyl-amine
Oxolane
Carboxamide group
Carboxylic acid ester
Lactone
Secondary carboxylic acid amide
Oxacycle
Organoheterocyclic compound
Monocarboxylic acid or derivatives
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Carbonyl group
Organic oxygen compound
Organooxygen compound
Organonitrogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

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	4.44	ChemAxon
pKa (Strongest Acidic)	5.96	ChemAxon
pKa (Strongest Basic)	1.55	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	58.89 Å²	ChemAxon
Rotatable Bond Count	11	ChemAxon
Refractivity	79.42 m³·mol⁻¹	ChemAxon
Polarizability	34.11 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

HMDB0341351

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

9740197

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11565426

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Cabo ML, Rodriguez A, Herrera JR: Exploring communication signals inside the microbial community of a Listeria monocytogenes-carrying biofilm contamination site. Int J Food Microbiol. 2022 Sep 2;376:109773. doi: 10.1016/j.ijfoodmicro.2022.109773. Epub 2022 Jun 4. [PubMed:35689970 ]
Carneiro DG, Almeida FA, Aguilar AP, Vieira NM, Pinto UM, Mendes TAO, Vanetti MCD: Salmonella enterica Optimizes Metabolism After Addition of Acyl-Homoserine Lactone Under Anaerobic Conditions. Front Microbiol. 2020 Jul 28;11:1459. doi: 10.3389/fmicb.2020.01459. eCollection 2020. [PubMed:32849316 ]
Wang J, Liu Q, Wu B, Zhao F, Ma S, Hu H, Zhang X, Ren H: Quorum sensing signaling distribution during the development of full-scale municipal wastewater treatment biofilms. Sci Total Environ. 2019 Oct 1;685:28-36. doi: 10.1016/j.scitotenv.2019.05.249. Epub 2019 May 21. [PubMed:31174122 ]
Zhang J, Li J, Zhao BH, Zhang YC, Wang XJ, Chen GH: Long-term effects of N-acyl-homoserine lactone-based quorum sensing on the characteristics of ANAMMOX granules in high-loaded reactors. Chemosphere. 2019 Mar;218:632-642. doi: 10.1016/j.chemosphere.2018.11.170. Epub 2018 Nov 26. [PubMed:30502702 ]
Wang J, Ding L, Li K, Huang H, Hu H, Geng J, Xu K, Ren H: Estimation of spatial distribution of quorum sensing signaling in sequencing batch biofilm reactor (SBBR) biofilms. Sci Total Environ. 2018 Jan 15;612:405-414. doi: 10.1016/j.scitotenv.2017.07.277. Epub 2017 Sep 1. [PubMed:28858750 ]
LOTUS database [Link]

Showing NP-Card for n-(2-oxooxolan-3-yl)dodecanimidic acid (NP0245511)

MOL for NP0245511 (n-(2-oxooxolan-3-yl)dodecanimidic acid)

3D MOL for NP0245511 (n-(2-oxooxolan-3-yl)dodecanimidic acid)

3D SDF for NP0245511 (n-(2-oxooxolan-3-yl)dodecanimidic acid)

3D-SDF for NP0245511 (n-(2-oxooxolan-3-yl)dodecanimidic acid)

PDB for NP0245511 (n-(2-oxooxolan-3-yl)dodecanimidic acid)

3D PDB for NP0245511 (n-(2-oxooxolan-3-yl)dodecanimidic acid)

SMILES for NP0245511 (n-(2-oxooxolan-3-yl)dodecanimidic acid)

INCHI for NP0245511 (n-(2-oxooxolan-3-yl)dodecanimidic acid)

Structure for NP0245511 (n-(2-oxooxolan-3-yl)dodecanimidic acid)

3D Structure for NP0245511 (n-(2-oxooxolan-3-yl)dodecanimidic acid)