NP-MRD: Showing NP-Card for 10,20-Dihydroxyeicosanoic acid (NP0086395)

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Record Information

Version

2.0

Created at

2022-04-29 06:42:00 UTC

Updated at

2022-04-29 06:42:00 UTC

NP-MRD ID

NP0086395

Secondary Accession Numbers

None

Natural Product Identification

Common Name

10,20-Dihydroxyeicosanoic acid

Description

10,20-Dihydroxyeicosanoic acid belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 10,20-Dihydroxyeicosanoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 10,20-Dihydroxyeicosanoic acid has been detected, but not quantified in, fruits. 10,20-Dihydroxyeicosanoic acid is found in Limonia acidissima. This could make 10,20-dihydroxyeicosanoic acid a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 64 63  0  0  0  0  0  0  0  0999 V2000
   -9.6049    0.4999    0.0246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3428    1.3230    0.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3095    2.2289    1.3035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0370    1.3624    1.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0087    0.4063    1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7140    0.7214   -0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6845   -0.1984   -1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4077   -0.0834   -0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3100   -0.9680   -0.8490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0991   -0.7634   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8926   -1.5562   -0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4628   -1.2021   -1.8207 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2634    0.1565   -1.9627 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7254   -1.9549   -2.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0130   -1.6932   -1.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5063   -0.2900   -1.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8238   -0.1163   -0.9114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6803   -0.4916    0.5382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9906   -0.2934    1.2927 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4491    1.1256    1.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7392    1.2741    2.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8516    0.4345    1.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1305    0.8121    0.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4972    2.1420   -0.0766 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3133    2.0718    1.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5607    2.3775    1.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1083    1.1314    2.6717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4145   -0.6151    1.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0944    0.5737    1.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6247    0.7386   -0.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2323    1.7500   -0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0101   -1.2556   -0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5994    0.0843   -2.0902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5934   -0.4248    0.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0511    0.9601   -0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6170   -2.0241   -0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0645   -0.6374   -1.8907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8223    0.3286   -0.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3802   -0.9582    1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1115   -2.6165   -0.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0551   -1.2123    0.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3138   -1.4650   -2.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2724    0.3614   -2.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5250   -3.0455   -2.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9076   -1.7520   -3.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9477   -2.0852   -0.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7790   -2.3569   -2.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623    0.1051   -2.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7928    0.3586   -1.0077 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1055    0.9622   -1.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5485   -0.7776   -1.4354 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8319    0.0187    0.9928 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4626   -1.6007    0.5794 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8049   -0.5595    2.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7247   -0.9948    0.8733 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6106    1.5223    0.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6695    1.7872    1.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0914    2.3442    1.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5634    1.0402    3.0984 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    0.5662    2.0647 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6102   -0.6491    1.5091 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9440    0.1354   -0.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2412    0.6306   -0.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4558    2.3062    0.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
 24 23  1  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 14  1  0
 14 12  1  0
 12 13  1  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  2  1  0
  2  3  1  0
  2  1  2  0
 24 64  1  0
 23 62  1  0
 23 63  1  0
 22 60  1  0
 22 61  1  0
 21 58  1  0
 21 59  1  0
 20 56  1  0
 20 57  1  0
 19 54  1  0
 19 55  1  0
 18 52  1  0
 18 53  1  0
 17 50  1  0
 17 51  1  0
 16 48  1  0
 16 49  1  0
 15 46  1  0
 15 47  1  0
 14 44  1  0
 14 45  1  0
 12 42  1  6
 13 43  1  0
 11 40  1  0
 11 41  1  0
 10 38  1  0
 10 39  1  0
  9 36  1  0
  9 37  1  0
  8 34  1  0
  8 35  1  0
  7 32  1  0
  7 33  1  0
  6 30  1  0
  6 31  1  0
  5 28  1  0
  5 29  1  0
  4 26  1  0
  4 27  1  0
  3 25  1  0
M  END


  Mrv0541 05061306142D          

 24 23  0  0  0  0            999 V2000
   13.9954    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2809    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7099    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.4256    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1401    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5664    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4243    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7112    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8546    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8520    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1388    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9967    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5690    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1375    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8533    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2822    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.2835    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4230    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5677    6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9980    6.4302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7086    6.4302    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5677    7.6677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7124    6.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9980    5.6052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  4  1  0  0  0  0
  9  5  1  0  0  0  0
 10  6  1  0  0  0  0
 11  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 19 16  1  0  0  0  0
 20 17  1  0  0  0  0
 21 18  1  0  0  0  0
 22 19  1  0  0  0  0
 23 20  2  0  0  0  0
 24 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0086395

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCCCCCCCCCCC(O)CCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H40O4/c21-18-14-10-6-2-1-3-7-11-15-19(22)16-12-8-4-5-9-13-17-20(23)24/h19,21-22H,1-18H2,(H,23,24)

> <INCHI_KEY>
RIIQXYZWFWMFSB-UHFFFAOYSA-N

> <FORMULA>
C20H40O4

> <MOLECULAR_WEIGHT>
344.5292

> <EXACT_MASS>
344.292659768

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
44.794765420944174

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
10,20-dihydroxyicosanoic acid

> <ALOGPS_LOGP>
6.06

> <JCHEM_LOGP>
5.211460294

> <ALOGPS_LOGS>
-4.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
16.84394282199214

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.952019962200908

> <JCHEM_PKA_STRONGEST_BASIC>
-1.19866551571248

> <JCHEM_POLAR_SURFACE_AREA>
77.76

> <JCHEM_REFRACTIVITY>
99.08579999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
19

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.85e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
10,20-dihydroxyicosanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      26.125  12.003   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      24.791  12.773   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      27.458  12.773   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      38.128  12.773   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      39.462  12.003   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      23.457  12.003   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      28.792  12.003   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      36.794  12.003   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      40.795  12.773   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      22.124  12.773   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      30.126  12.773   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      35.461  12.773   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      42.129  12.003   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      20.790  12.003   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      31.459  12.003   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      34.127  12.003   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      43.463  12.773   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      19.456  12.773   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      32.793  12.773   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      44.796  12.003   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      18.123  12.003   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      32.793  14.313   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      46.130  12.773   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      44.796  10.463   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1    6                                                       
CONECT    3    1    7                                                       
CONECT    4    5    8                                                       
CONECT    5    4    9                                                       
CONECT    6    2   10                                                       
CONECT    7    3   11                                                       
CONECT    8    4   12                                                       
CONECT    9    5   13                                                       
CONECT   10    6   14                                                       
CONECT   11    7   15                                                       
CONECT   12    8   16                                                       
CONECT   13    9   17                                                       
CONECT   14   10   18                                                       
CONECT   15   11   19                                                       
CONECT   16   12   19                                                       
CONECT   17   13   20                                                       
CONECT   18   14   21                                                       
CONECT   19   15   16   22                                                  
CONECT   20   17   23   24                                                  
CONECT   21   18                                                            
CONECT   22   19                                                            
CONECT   23   20                                                            
CONECT   24   20                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   46    0
END

View in JSmol

Synonyms

Value	Source
10,20-Dihydroxyeicosanoate	Generator
10,20-Dihydroxyicosanoate	Generator

Chemical Formula

C₂₀H₄₀O₄

Average Mass

344.5292 Da

Monoisotopic Mass

344.29266 Da

IUPAC Name

10,20-dihydroxyicosanoic acid

Traditional Name

10,20-dihydroxyicosanoic acid

CAS Registry Number

Not Available

SMILES

OCCCCCCCCCCC(O)CCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C20H40O4/c21-18-14-10-6-2-1-3-7-11-15-19(22)16-12-8-4-5-9-13-17-20(23)24/h19,21-22H,1-18H2,(H,23,24)

InChI Key

RIIQXYZWFWMFSB-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, 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

Not Available

Species

Species of Origin

Species Name	Source	Reference
Limonia acidissima	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty acids and conjugates

Direct Parent

Long-chain fatty acids

Alternative Parents

Substituents

Long-chain fatty acid
Hydroxy fatty acid
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Carbonyl group
Alcohol
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	6.06	ALOGPS
logP	5.21	ChemAxon
logS	-4.8	ALOGPS
pKa (Strongest Acidic)	4.95	ChemAxon
pKa (Strongest Basic)	-1.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	77.76 Å²	ChemAxon
Rotatable Bond Count	19	ChemAxon
Refractivity	99.09 m³·mol⁻¹	ChemAxon
Polarizability	44.79 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0031923

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB008611

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

14259007

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for 10,20-Dihydroxyeicosanoic acid (NP0086395)

MOL for NP0086395 (10,20-Dihydroxyeicosanoic acid)

3D MOL for NP0086395 (10,20-Dihydroxyeicosanoic acid)

3D SDF for NP0086395 (10,20-Dihydroxyeicosanoic acid)

3D-SDF for NP0086395 (10,20-Dihydroxyeicosanoic acid)

PDB for NP0086395 (10,20-Dihydroxyeicosanoic acid)

3D PDB for NP0086395 (10,20-Dihydroxyeicosanoic acid)

SMILES for NP0086395 (10,20-Dihydroxyeicosanoic acid)

INCHI for NP0086395 (10,20-Dihydroxyeicosanoic acid)

Structure for NP0086395 (10,20-Dihydroxyeicosanoic acid)

3D Structure for NP0086395 (10,20-Dihydroxyeicosanoic acid)