NP-MRD: Showing NP-Card for 1-Monolaurin (NP0082947)

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Record Information

Version

2.0

Created at

2022-04-29 04:01:04 UTC

Updated at

2025-02-11 15:48:45 UTC

NP-MRD ID

NP0082947

Natural Product DOI

https://doi.org/10.57994/2868

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-Monolaurin

Description

MG(12:0/0:0/0:0), Also known as MG (0:0/0:0/12:0), Belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position. MG(12:0/0:0/0:0) Is an extremely weak basic (essentially neutral) compound (based on its pKa). 1-Monolaurin is found in Serenoa repens . Their general formula is OCC(CO)O.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 49 48  0  0  0  0  0  0  0  0999 V2000
   -5.4365    1.4563    0.7532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9950    0.2844    1.4786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2002   -0.9702    1.4151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0323   -1.5631    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2351   -0.8060   -0.9300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7863   -0.6219   -0.4998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0110    0.1622   -1.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5733    0.3523   -1.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0999   -0.9803   -0.9624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5360   -0.7539   -0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3118    0.0569   -1.5422 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233    0.1759   -0.9831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4501   -0.8219   -1.1532 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1614    1.2700   -0.3541 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3366    1.5772    0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8486    0.9126    1.4345 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0940    1.5701    1.7685 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2552   -0.5037    1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1563   -0.6284    0.1729 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9940    1.6478   -0.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6456    2.4147    1.3577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3483    1.4775    0.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0669    0.0687    1.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1927    0.5900    2.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6265   -1.7456    2.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1330   -0.7661    1.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6724   -2.6334    0.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0822   -1.6829   -0.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1384   -1.4168   -1.8938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6732    0.1372   -1.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7027   -0.1535    0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3903   -1.6570   -0.3731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0024   -0.4220   -2.4532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4416    1.1530   -1.6855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0725    0.9035   -1.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    0.9156   -0.1743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0533   -1.5592   -1.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3640   -1.6037   -0.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5839   -0.2273    0.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770   -1.7377   -0.4599 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9098    1.0645   -1.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4221   -0.4480   -2.5247 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1793    1.5735   -0.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3120    2.7110    0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2288    1.0774    2.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1691    2.4120    1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8762   -0.8617    2.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4822   -1.2531    1.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9807   -0.1468    0.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 16 15  1  0
 15 14  1  0
 14 12  1  0
 12 13  2  0
 12 11  1  0
 11 10  1  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
 16 45  1  1
 17 46  1  0
 18 47  1  0
 18 48  1  0
 19 49  1  0
 15 43  1  0
 15 44  1  0
 11 41  1  0
 11 42  1  0
 10 39  1  0
 10 40  1  0
  9 37  1  0
  9 38  1  0
  8 35  1  0
  8 36  1  0
  7 33  1  0
  7 34  1  0
  6 31  1  0
  6 32  1  0
  5 29  1  0
  5 30  1  0
  4 27  1  0
  4 28  1  0
  3 25  1  0
  3 26  1  0
  2 23  1  0
  2 24  1  0
  1 20  1  0
  1 21  1  0
  1 22  1  0
M  END


  Mrv1652303032023412D          

 20 19  0  0  1  0            999 V2000
    6.2980   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7270   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4414   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1559   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8704   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5849   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2993   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0138   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7283   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4427   -3.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0151   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5862   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3006   -3.1599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.1572   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7296   -3.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3006   -2.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1572   -4.3974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8717   -3.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3006   -3.9849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 14 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 14 17  1  1  0  0  0
 18 15  2  0  0  0  0
 19 13  1  0  0  0  0
 19 15  1  0  0  0  0
 14 20  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0082947

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@](O)(CO)COC(=O)CCCCCCCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m1/s1

> <INCHI_KEY>
ARIWANIATODDMH-CQSZACIVSA-N

> <FORMULA>
C15H30O4

> <MOLECULAR_WEIGHT>
274.3963

> <EXACT_MASS>
274.214409448

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
49

> <JCHEM_AVERAGE_POLARIZABILITY>
33.72050659883034

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R)-2,3-dihydroxypropyl dodecanoate

> <ALOGPS_LOGP>
3.84

> <JCHEM_LOGP>
3.303765219666667

> <ALOGPS_LOGS>
-3.49

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.561713304317518

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.619245765321082

> <JCHEM_PKA_STRONGEST_BASIC>
-2.968684336972288

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
75.70349999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
8.93e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2R)-2,3-dihydroxypropyl dodecanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-MAR-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-MAR-20         0                                  
HETATM    1  C   UNK     0      11.756  -5.898   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      13.090  -6.668   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      14.424  -5.898   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.757  -6.668   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      17.091  -5.898   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      18.425  -6.668   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      19.758  -5.898   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      21.092  -6.668   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      22.426  -5.898   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      23.759  -6.668   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      25.093  -5.898   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      31.762  -6.668   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      29.094  -6.668   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      30.428  -5.898   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      26.427  -6.668   0.000  0.00  0.00           C+0
HETATM   16  O   UNK     0      33.095  -5.898   0.000  0.00  0.00           O+0
HETATM   17  O   UNK     0      30.428  -4.358   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      26.427  -8.208   0.000  0.00  0.00           O+0
HETATM   19  O   UNK     0      27.761  -5.898   0.000  0.00  0.00           O+0
HETATM   20  H   UNK     0      30.428  -7.438   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                                                       
CONECT   11   10   15                                                       
CONECT   12   14   16                                                       
CONECT   13   14   19                                                       
CONECT   14   12   13   17   20                                             
CONECT   15   11   18   19                                                  
CONECT   16   12                                                            
CONECT   17   14                                                            
CONECT   18   15                                                            
CONECT   19   13   15                                                       
CONECT   20   14                                                            
MASTER        0    0    0    0    0    0    0    0   20    0   38    0
END

View in JSmol

Synonyms

Value	Source
3-Dodecanoyl-sn-glycerol	ChEBI
MG (0:0/0:0/12:0)	ChEBI

Chemical Formula

C₁₅H₃₀O₄

Average Mass

274.3963 Da

Monoisotopic Mass

274.21441 Da

IUPAC Name

(2R)-2,3-dihydroxypropyl dodecanoate

Traditional Name

(2R)-2,3-dihydroxypropyl dodecanoate

CAS Registry Number

Not Available

SMILES

[H][C@@](O)(CO)COC(=O)CCCCCCCCCCC

InChI Identifier

InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m1/s1

InChI Key

ARIWANIATODDMH-CQSZACIVSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-18	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-18	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-18	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-18	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-18	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 600, CD₃OD, simulated)	bgnzk@missouri.edu	Sumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USA	Dr. Bharat Goel	2024-06-18	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Serenoa repens	Plant	KNApSAcK
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1-monoacylglycerols. These are monoacylglycerols containing a glycerol acylated at the 1-position.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerolipids

Sub Class

Monoradylglycerols

Direct Parent

1-monoacylglycerols

Alternative Parents

Substituents

1-acyl-sn-glycerol
Fatty acid ester
Fatty acyl
1,2-diol
Carboxylic acid ester
Secondary alcohol
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Primary alcohol
Hydrocarbon derivative
Organic oxygen compound
Carbonyl group
Alcohol
Organic oxide
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

laurate ester (CHEBI:75528 )
1-monolauroylglycerol (CHEBI:75528 )
3-acyl-sn-glycerol (CHEBI:75528 )

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	3.84	ALOGPS
logP	3.3	ChemAxon
logS	-3.5	ALOGPS
pKa (Strongest Acidic)	13.62	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	75.7 m³·mol⁻¹	ChemAxon
Polarizability	33.72 Å³	ChemAxon
Number of Rings	0	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

HMDB0072863

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB044864

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

71598538

PDB ID

1QW

ChEBI ID

75528

Good Scents ID

Not Available

References

General References

Showing NP-Card for 1-Monolaurin (NP0082947)

MOL for NP0082947 (1-Monolaurin)

3D MOL for NP0082947 (1-Monolaurin)

3D SDF for NP0082947 (1-Monolaurin)

3D-SDF for NP0082947 (1-Monolaurin)

PDB for NP0082947 (1-Monolaurin)

3D PDB for NP0082947 (1-Monolaurin)

SMILES for NP0082947 (1-Monolaurin)

INCHI for NP0082947 (1-Monolaurin)

Structure for NP0082947 (1-Monolaurin)

3D Structure for NP0082947 (1-Monolaurin)