NP-MRD: Showing NP-Card for 20-hete (NP0276666)

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Record Information

Version

2.0

Created at

2022-09-09 00:54:33 UTC

Updated at

2022-09-09 00:54:33 UTC

NP-MRD ID

NP0276666

Secondary Accession Numbers

None

Natural Product Identification

Common Name

20-hete

Description

20-Hydroxyeicosatetraenoic acid, also known as 20-hydroxy arachidonic acid or 20-HETE, 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. A HETE that consists of arachidonic acid bearing a hydroxy substituent at position 20. 20-Hydroxyeicosatetraenoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 20-hete is found in Pseudo-nitzschia multistriata. 20-hete was first documented in 2005 (PMID: 16258232). In humans, 20-hydroxyeicosatetraenoic acid is involved in mefenamic acid action pathway.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 55 54  0  0  0  0  0  0  0  0999 V2000
    7.2124    1.0121    0.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0641    0.4144    1.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7802    0.8602    2.3416 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1884   -0.7368    1.4187 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3516   -1.1259    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3785   -0.0671   -0.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732    0.2173    0.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1997    0.0788    0.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2858   -0.4188   -0.0172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772   -0.8926   -1.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4474   -0.3660   -2.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5413    0.7666   -2.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5289    0.3439   -3.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7867    0.3784   -3.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4692    0.8699   -2.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2974   -0.2592   -1.6692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2683   -0.8060   -0.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4026   -0.3927    0.6076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0972   -0.0089    1.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0426    1.1136    1.8585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2643    0.9701    1.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0886   -0.2254    1.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4698   -0.0160    2.7941 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7338    1.1874    2.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7792   -1.6468    1.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5566   -0.5244    2.3226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8627   -2.1045    0.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0738   -1.3426   -0.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0377    0.8916   -0.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0026   -0.1387   -1.1808 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9623    0.6239    1.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6907    0.3769    1.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7623   -1.3185    0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4358    0.3007   -0.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4577   -1.7789   -1.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219   -0.8488   -3.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917    1.5952   -3.2623 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1993    1.2118   -1.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1886   -0.0590   -4.5806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4984    0.0066   -4.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1719    1.7060   -2.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7948    1.3148   -1.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0439   -0.7230   -2.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9491   -1.6562   -0.2653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6972   -1.2482    0.8237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7410    0.4619    0.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5669   -0.9323    2.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2777    0.2371    2.6381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4686    2.0447    1.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3546    1.3660    2.9186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1363    1.0095   -0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9283    1.8630    1.2952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9989   -0.3351    0.8445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5322   -1.1674    1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2043   -0.6385    3.0356 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  2  0
 16 15  1  0
 15 14  1  0
 14 13  2  0
 13 12  1  0
 12 11  1  0
 11 10  2  0
 10  9  1  0
  9  8  1  0
  8  7  2  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
 23 55  1  0
 22 53  1  0
 22 54  1  0
 21 51  1  0
 21 52  1  0
 20 49  1  0
 20 50  1  0
 19 47  1  0
 19 48  1  0
 18 45  1  0
 18 46  1  0
 17 44  1  0
 16 43  1  0
 15 41  1  0
 15 42  1  0
 14 40  1  0
 13 39  1  0
 12 37  1  0
 12 38  1  0
 11 36  1  0
 10 35  1  0
  9 33  1  0
  9 34  1  0
  8 32  1  0
  7 31  1  0
  6 29  1  0
  6 30  1  0
  5 27  1  0
  5 28  1  0
  4 25  1  0
  4 26  1  0
  3 24  1  0
M  END

  Mrv1652303291817492D          

 23 22  0  0  0  0            999 V2000
10005.053010006.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10005.878610006.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10006.593410006.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10007.308710006.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.133610006.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10008.849310006.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10009.562910006.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10010.389810006.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.103410006.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10011.819010006.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10012.532710006.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.248310006.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10013.964010006.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10014.677610006.7625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10004.338210006.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10003.623310006.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.797810006.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.083010006.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.368210006.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.653210006.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.936310006.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.221410006.3509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9999.936310007.5881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  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
 15 16  1  0  0  0  0
 16 17  2  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
 21 23  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0276666

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-

> <INCHI_KEY>
NNDIXBJHNLFJJP-DTLRTWKJSA-N

> <FORMULA>
C20H32O3

> <MOLECULAR_WEIGHT>
320.4663

> <EXACT_MASS>
320.23514489

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
38.44345502523711

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid

> <ALOGPS_LOGP>
5.87

> <JCHEM_LOGP>
5.150492194333333

> <ALOGPS_LOGS>
-5.43

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
16.843936486031673

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.819771907472209

> <JCHEM_PKA_STRONGEST_BASIC>
-1.9922622479596956

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
101.8827

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.19e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
20-hete

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 29-MAR-18   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   29-MAR-18         0                                  
HETATM    1  C   UNK     0    8676.0998679.290   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8677.6408679.290   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8678.9748678.522   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8680.3108679.290   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8681.8498679.290   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8683.1858678.522   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8684.5178679.290   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8686.0618679.290   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8687.3938678.522   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8688.7298679.290   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8690.0618678.522   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8691.3978679.290   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8692.7338678.522   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0    8694.0658679.290   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0    8674.7658678.522   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8673.4308679.290   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8671.8898679.290   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8670.5558678.522   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8669.2218679.290   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8667.8868678.522   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8666.5488679.290   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0    8665.2138678.522   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0    8666.5488680.831   0.000  0.00  0.00           O+0
CONECT    1    2   15                                                       
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                                                       
CONECT   13   12   14                                                       
CONECT   14   13                                                            
CONECT   15    1   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   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   44    0
END

View in JSmol

Synonyms

Value	Source
(5Z,8Z,11Z,14Z)-20-Hydroxyicosa-5,8,11,14-tetraenoic acid	ChEBI
20-Hydroxy arachidonic acid	ChEBI
20-Hydroxyarachidonic acid	ChEBI
20-Hydroxyicosatetraenoic acid	ChEBI
(5Z,8Z,11Z,14Z)-20-Hydroxyicosa-5,8,11,14-tetraenoate	Generator
20-Hydroxy arachidonate	Generator
20-Hydroxyarachidonate	Generator
20-Hydroxyicosatetraenoate	Generator
20-Hydroxyeicosatetraenoate	Generator
(all-Z)-20-Hydroxy-5,8,11,14-eicosatetraenoate	HMDB
(all-Z)-20-Hydroxy-5,8,11,14-eicosatetraenoic acid	HMDB
20-HETE	HMDB
20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate	HMDB
20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acid	HMDB
20-Hydroxy-5,8,11,14-eicosatetraenoate	HMDB
20-Hydroxy-5,8,11,14-eicosatetraenoic acid	HMDB
20-Hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoate	HMDB
20-Hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid	HMDB

Chemical Formula

C₂₀H₃₂O₃

Average Mass

320.4663 Da

Monoisotopic Mass

320.23514 Da

IUPAC Name

(5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid

Traditional Name

20-hete

CAS Registry Number

Not Available

SMILES

OCCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O

InChI Identifier

InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-

InChI Key

NNDIXBJHNLFJJP-DTLRTWKJSA-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
Pseudo-nitzschia multistriata	LOTUS Database	35616633

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
Unsaturated fatty acid
Straight chain fatty acid
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

hydroxy monocarboxylic acid (CHEBI:34306 )
HETE (CHEBI:34306 )
Hydroxy/hydroperoxyeicosatetraenoic acids (C14748 )
Hydroxy/hydroperoxyeicosatetraenoic acids (LMFA03060009 )

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	5.87	ALOGPS
logP	5.15	ChemAxon
logS	-5.4	ALOGPS
pKa (Strongest Acidic)	4.82	ChemAxon
pKa (Strongest Basic)	-2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	101.88 m³·mol⁻¹	ChemAxon
Polarizability	38.44 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

HMDB0005998

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB023796

KNApSAcK ID

Not Available

Chemspider ID

4446281

KEGG Compound ID

C14748

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

20-Hydroxyeicosatetraenoic acid

METLIN ID

Not Available

PubChem Compound

5283157

PDB ID

Not Available

ChEBI ID

34306

Good Scents ID

Not Available

References

General References

Miyata N, Roman RJ: Role of 20-hydroxyeicosatetraenoic acid (20-HETE) in vascular system. J Smooth Muscle Res. 2005 Aug;41(4):175-93. doi: 10.1540/jsmr.41.175. [PubMed:16258232 ]
LOTUS database [Link]

Showing NP-Card for 20-hete (NP0276666)

MOL for NP0276666 (20-hete)

3D MOL for NP0276666 (20-hete)

3D SDF for NP0276666 (20-hete)

3D-SDF for NP0276666 (20-hete)

PDB for NP0276666 (20-hete)

3D PDB for NP0276666 (20-hete)

SMILES for NP0276666 (20-hete)

INCHI for NP0276666 (20-hete)

Structure for NP0276666 (20-hete)

3D Structure for NP0276666 (20-hete)