NP-MRD: Showing NP-Card for {[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid (NP0311763)

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Record Information

Version

2.0

Created at

2022-09-11 07:58:54 UTC

Updated at

2022-09-11 07:58:54 UTC

NP-MRD ID

NP0311763

Secondary Accession Numbers

None

Natural Product Identification

Common Name

{[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid

Description

N-(15-methyl-3-(13-methyl-tetradecanoyloxy)-hexadecanoyl)-glycine belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. Thus, N-(15-methyl-3-(13-methyl-tetradecanoyloxy)-hexadecanoyl)-glycine is considered to be a fatty amide. Based on a literature review very few articles have been published on N-(15-methyl-3-(13-methyl-tetradecanoyloxy)-hexadecanoyl)-glycine.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309112209582D          

 40 39  0  0  1  0            999 V2000
   15.3730    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0875    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0875    8.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8020    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5164    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2309    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9454    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6599    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3743    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0888    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8033    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5177    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2322    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9467    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6612    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   26.8046    8.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8046    7.2256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   28.9480    6.8131    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
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  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
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 13 14  1  0  0  0  0
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 15 16  2  0  0  0  0
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 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
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 21 22  1  0  0  0  0
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 18 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  4  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309112209582D          

 40 39  0  0  1  0            999 V2000
   15.3730    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0875    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0875    8.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8020    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5164    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2309    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9454    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.6599    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3743    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0888    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8033    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5177    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2322    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9467    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6612    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6612    8.4631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3756    9.7006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0901    9.2881    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.8046    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5190    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2335    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9480    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6624    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3769    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.0914    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8059    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.5203    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2348    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9493    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6637    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3782    9.7006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6637    8.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.0901    8.4631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8046    8.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8046    7.2256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.5190    8.4631    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.2335    8.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2335    7.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5190    6.8131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.9480    6.8131    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
  2  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
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 18 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  2  0  0  0  0
 36 37  1  4  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0311763

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)CCCCCCCCCCC[C@H](CC(O)=NCC(O)=O)OC(=O)CCCCCCCCCCCC(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C34H65NO5/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(27-32(36)35-28-33(37)38)40-34(39)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h29-31H,5-28H2,1-4H3,(H,35,36)(H,37,38)/t31-/m1/s1

> <INCHI_KEY>
OYOGBQCTBJMFBW-WJOKGBTCSA-N

> <FORMULA>
C34H65NO5

> <MOLECULAR_WEIGHT>
567.896

> <EXACT_MASS>
567.486274197

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
105

> <JCHEM_AVERAGE_POLARIZABILITY>
73.49274309961365

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-{[(3R)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid

> <JCHEM_LOGP>
11.228521409230376

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
5.483388626559137

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.7119942853715644

> <JCHEM_PKA_STRONGEST_BASIC>
1.8022650542208658

> <JCHEM_POLAR_SURFACE_AREA>
96.19000000000001

> <JCHEM_REFRACTIVITY>
165.41090000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
30

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
{[(3R)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0      28.696  18.108   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      30.030  17.338   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      30.030  15.798   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      31.364  18.108   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      32.697  17.338   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      34.031  18.108   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      35.365  17.338   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      36.698  18.108   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      38.032  17.338   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      39.366  18.108   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      40.699  17.338   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      42.033  18.108   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      43.367  17.338   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      44.700  18.108   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      46.034  17.338   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      46.034  15.798   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      47.368  18.108   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0      48.702  17.338   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      50.035  18.108   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      51.369  17.338   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      52.703  18.108   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      54.036  17.338   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      55.370  18.108   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      56.704  17.338   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      58.037  18.108   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      59.371  17.338   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      60.705  18.108   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      62.038  17.338   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      63.372  18.108   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      64.706  17.338   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      66.039  18.108   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      64.706  15.798   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      48.702  15.798   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      50.035  15.028   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      50.035  13.488   0.000  0.00  0.00           O+0
HETATM   36  N   UNK     0      51.369  15.798   0.000  0.00  0.00           N+0
HETATM   37  C   UNK     0      52.703  15.028   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      52.703  13.488   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      51.369  12.718   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      54.036  12.718   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2    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                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19   33                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   18   34                                                       
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₆₅NO₅

Average Mass

567.8960 Da

Monoisotopic Mass

567.48627 Da

IUPAC Name

2-{[(3R)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid

Traditional Name

{[(3R)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid

CAS Registry Number

Not Available

SMILES

CC(C)CCCCCCCCCCC[C@H](CC(O)=NCC(O)=O)OC(=O)CCCCCCCCCCCC(C)C

InChI Identifier

InChI=1S/C34H65NO5/c1-29(2)23-19-15-11-7-5-9-13-17-21-25-31(27-32(36)35-28-33(37)38)40-34(39)26-22-18-14-10-6-8-12-16-20-24-30(3)4/h29-31H,5-28H2,1-4H3,(H,35,36)(H,37,38)/t31-/m1/s1

InChI Key

OYOGBQCTBJMFBW-WJOKGBTCSA-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. N-acyl-alpha amino acids are compounds containing an alpha amino acid 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

Alternative Parents

Substituents

N-acyl-alpha-amino acid
Fatty acid ester
Dicarboxylic acid or derivatives
Fatty amide
N-acyl-amine
Fatty acyl
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid ester
Carboxylic acid
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	11.23	ChemAxon
pKa (Strongest Acidic)	3.71	ChemAxon
pKa (Strongest Basic)	1.8	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	96.19 Å²	ChemAxon
Rotatable Bond Count	30	ChemAxon
Refractivity	165.41 m³·mol⁻¹	ChemAxon
Polarizability	73.49 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8183720

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10008140

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for {[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid (NP0311763)

MOL for NP0311763 ({[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid)

3D MOL for NP0311763 ({[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid)

3D SDF for NP0311763 ({[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid)

3D-SDF for NP0311763 ({[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid)

PDB for NP0311763 ({[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid)

3D PDB for NP0311763 ({[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid)

SMILES for NP0311763 ({[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid)

INCHI for NP0311763 ({[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid)

Structure for NP0311763 ({[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid)

3D Structure for NP0311763 ({[(3r)-1-hydroxy-15-methyl-3-[(13-methyltetradecanoyl)oxy]hexadecylidene]amino}acetic acid)