NP-MRD: Showing NP-Card for 3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate (NP0196956)

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Record Information

Version

2.0

Created at

2022-09-04 15:08:12 UTC

Updated at

2022-09-04 15:08:12 UTC

NP-MRD ID

NP0196956

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate

Description

3-Hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2. 3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate is found in Helichrysum argyrophyllum. Based on a literature review very few articles have been published on 3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 55 54  0  0  0  0  0  0  0  0999 V2000
    6.4229    1.6379   -0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3102    0.4700   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8485   -0.7470   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7792   -1.9352   -0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4590   -1.0403    0.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0451   -2.2151    0.3402 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5427   -0.0377    0.3607 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1521   -0.2190    0.6038 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7705    0.4352    1.9197 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4368    0.2923    2.2259 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3275    0.4209   -0.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9491    0.1412   -0.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0563    0.5964   -0.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2735    1.2896   -2.0126 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5205    0.3256   -0.7445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6319   -0.5965    0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9361   -1.0661    0.8787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7863   -1.8605    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3796   -1.4800   -1.2520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3435   -0.3628   -1.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8085    0.9734   -0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9756    1.9620   -1.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0582    1.5177   -0.1822 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9864    2.5941   -0.2432 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8993    1.7251    0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6457    1.6075   -0.8084 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3632    0.6322   -0.3154 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5528   -2.5877    0.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4485   -2.4733   -1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8214   -1.6133   -0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9636   -1.3017    0.6641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0731    1.5053    1.8566 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984   -0.0120    2.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8823    1.0653    1.9710 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5816   -0.0836   -1.4555 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5298    1.4908   -0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0006    1.3279   -0.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8824   -0.0868   -1.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099   -0.2267    1.2637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0481   -1.5375    0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4470   -0.2852    1.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6453   -1.8102    1.7543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6960   -2.2217    0.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2881   -2.9212   -0.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9739   -2.4353   -1.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6562   -1.3947   -2.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2579   -0.6193   -0.6850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7242   -0.3257   -2.4055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0548    1.3428   -1.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3857    1.0969    0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2982    1.8903   -2.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6521    2.9982   -0.9384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6110    0.9366    0.6420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6052    2.3935    0.2289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7301    0.8277   -0.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
 23 22  1  0
 22 21  1  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 13  1  0
 13 14  2  0
 13 12  1  0
 12 11  1  0
 11  8  1  0
  8  9  1  0
  9 10  1  0
  8  7  1  0
  7  5  1  0
  5  6  2  0
  5  3  1  0
  3  4  1  0
  3  2  2  0
  2  1  1  0
 23 53  1  0
 23 54  1  0
 23 55  1  0
 22 51  1  0
 22 52  1  0
 21 49  1  0
 21 50  1  0
 20 47  1  0
 20 48  1  0
 19 45  1  0
 19 46  1  0
 18 43  1  0
 18 44  1  0
 17 41  1  0
 17 42  1  0
 16 39  1  0
 16 40  1  0
 15 37  1  0
 15 38  1  0
 11 35  1  0
 11 36  1  0
  8 31  1  1
  9 32  1  0
  9 33  1  0
 10 34  1  0
  4 28  1  0
  4 29  1  0
  4 30  1  0
  2 27  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
M  END


  Mrv1652309042217082D          

 23 22  0  0  0  0            999 V2000
    4.5671    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2816    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9961    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9961    3.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7105    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7105    5.5243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4250    4.2868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    5.5243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    5.9368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8539    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5684    4.6993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2829    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2829    3.4618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9974    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7118    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4263    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1408    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8552    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5697    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2842    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9987    4.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7131    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  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
  8 11  1  0  0  0  0
 11 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
 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
 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
M  END
> <DATABASE_ID>
NP0196956

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCC(=O)OCC(CO)OC(=O)C(C)=CC

> <INCHI_IDENTIFIER>
InChI=1S/C18H32O5/c1-4-6-7-8-9-10-11-12-17(20)22-14-16(13-19)23-18(21)15(3)5-2/h5,16,19H,4,6-14H2,1-3H3

> <INCHI_KEY>
STNLSIJULCNWGP-UHFFFAOYSA-N

> <FORMULA>
C18H32O5

> <MOLECULAR_WEIGHT>
328.449

> <EXACT_MASS>
328.22497413

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
39.12748019346428

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate

> <JCHEM_LOGP>
4.627565124333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.577165245135305

> <JCHEM_PKA_STRONGEST_BASIC>
-2.983747921777818

> <JCHEM_POLAR_SURFACE_AREA>
72.83000000000001

> <JCHEM_REFRACTIVITY>
90.3313

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       8.525   8.002   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.859   8.772   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      11.193   8.002   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      11.193   6.462   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.526   8.772   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0      12.526  10.312   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      13.860   8.002   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      15.194   8.772   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      15.194  10.312   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      16.527  11.082   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      16.527   8.002   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      17.861   8.772   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      19.195   8.002   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      19.195   6.462   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      20.528   8.772   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      21.862   8.002   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      23.196   8.772   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      24.529   8.002   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      25.863   8.772   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      27.197   8.002   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      28.530   8.772   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      29.864   8.002   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      31.198   8.772   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6    7                                                  
CONECT    6    5                                                            
CONECT    7    5    8                                                       
CONECT    8    7    9   11                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    8   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

View in JSmol

Synonyms

Value	Source
3-Hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoic acid	Generator

Chemical Formula

C₁₈H₃₂O₅

Average Mass

328.4490 Da

Monoisotopic Mass

328.22497 Da

IUPAC Name

3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate

Traditional Name

3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate

CAS Registry Number

Not Available

SMILES

CCCCCCCCCC(=O)OCC(CO)OC(=O)C(C)=CC

InChI Identifier

InChI=1S/C18H32O5/c1-4-6-7-8-9-10-11-12-17(20)22-14-16(13-19)23-18(21)15(3)5-2/h5,16,19H,4,6-14H2,1-3H3

InChI Key

STNLSIJULCNWGP-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
Helichrysum argyrophyllum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 1,2-diacylglycerols. These are diacylglycerols containing a glycerol acylated at positions 1 and 2.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Glycerolipids

Sub Class

Diradylglycerols

Direct Parent

1,2-diacylglycerols

Alternative Parents

Substituents

1,2-acyl-sn-glycerol
Fatty acid ester
Dicarboxylic acid or derivatives
Fatty acyl
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Carboxylic acid derivative
Primary alcohol
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Carbonyl group
Alcohol
Organooxygen compound
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	4.63	ChemAxon
pKa (Strongest Acidic)	14.58	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	72.83 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	90.33 m³·mol⁻¹	ChemAxon
Polarizability	39.13 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

Not Available

DrugBank ID

Not Available

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

162915596

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate (NP0196956)

MOL for NP0196956 (3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate)

3D MOL for NP0196956 (3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate)

3D SDF for NP0196956 (3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate)

3D-SDF for NP0196956 (3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate)

PDB for NP0196956 (3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate)

3D PDB for NP0196956 (3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate)

SMILES for NP0196956 (3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate)

INCHI for NP0196956 (3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate)

Structure for NP0196956 (3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate)

3D Structure for NP0196956 (3-hydroxy-2-[(2-methylbut-2-enoyl)oxy]propyl decanoate)