NP-MRD: Showing NP-Card for 15-hede (NP0179258)

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Record Information

Version

2.0

Created at

2022-09-03 17:24:55 UTC

Updated at

2022-09-03 17:24:55 UTC

NP-MRD ID

NP0179258

Secondary Accession Numbers

None

Natural Product Identification

Common Name

15-hede

Description

15-HEDE, also known as (+-)-15-hede, belongs to the class of organic compounds known as other hydroxyeicosapolyenoic acids. These are hydroxyeicosapolyenoic acids which do not belong to the Hydroxyeicosapentaenoic acids, the Hydroxyeicosatetraenoic acids, or the Hydroxyeicosatrienoic acids. 15-hede is found in Pseudo-nitzschia multistriata. 15-hede was first documented in 2011 (PMID: 21321301). Based on a literature review a small amount of articles have been published on 15-HEDE (PMID: 34888952) (PMID: 29763661).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 59 58  0  0  0  0  0  0  0  0999 V2000
   -8.2647    2.3781   -1.0944 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8798    1.1934   -0.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7817    0.5122    0.3911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7098    0.0565   -0.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6126   -0.6266    0.1946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5113   -1.1025   -0.7506 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0769   -1.9998   -1.6563 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4339   -1.7447    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1511   -1.5048   -0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510   -2.1576    0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1378   -1.9782    0.5637 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7418   -1.0715   -0.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5494    0.0175    0.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6552   -0.6068    1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4878    0.4419    1.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1436    1.3914    0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0669    0.6820   -0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1798   -0.0407    0.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1044   -0.7502   -0.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7837    0.1359   -1.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6520    1.1522   -0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8074    1.1766    0.5124 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3024    2.0935   -1.5421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0264    3.1672   -1.1242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9150    2.0659   -2.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3968    2.8048   -0.5292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2816    0.4657   -1.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6582    1.5188    0.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3304    1.1694    1.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1992   -0.3583    0.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2785    0.9412   -1.0981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1154   -0.6509   -1.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1150    0.0854    0.8942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0098   -1.4517    0.8022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1026   -0.2368   -1.2868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2233   -1.5057   -2.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7651   -2.4423    0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8937   -0.8079   -0.8957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4802   -2.8618    1.4468 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8110   -2.5263    1.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0324   -0.6441   -1.1406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4647   -1.6614   -1.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8904    0.7779   -0.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8366    0.5135    0.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2405   -1.3372    0.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1469   -1.1711    1.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1962   -0.0610    2.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7981    1.0491    2.4218 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7685    2.0863    1.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3857    1.9999    0.3119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5701   -0.0257   -0.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5478    1.4615   -0.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7642    0.5891    1.2681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7273   -0.8477    1.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8624   -1.2814    0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5301   -1.5038   -0.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4040   -0.4856   -2.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0356    0.6333   -2.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7393    2.8839   -1.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 23  1  0
 21 22  2  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  6
  7 36  1  0
  8 37  1  0
  9 38  1  0
 10 39  1  0
 11 40  1  0
 12 41  1  0
 12 42  1  0
 13 43  1  0
 13 44  1  0
 14 45  1  0
 14 46  1  0
 15 47  1  0
 15 48  1  0
 16 49  1  0
 16 50  1  0
 17 51  1  0
 17 52  1  0
 18 53  1  0
 18 54  1  0
 19 55  1  0
 19 56  1  0
 20 57  1  0
 20 58  1  0
 23 59  1  0
M  END

  Mrv1652309032219242D          

 23 22  0  0  0  0            999 V2000
   -0.0513    8.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6632    7.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6632    6.9829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3776    5.7454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921    5.3329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    5.7454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0921    4.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    4.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8066    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5211    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6645    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3789    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8079    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5224    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2368    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    3.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    3.2704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6658    2.0329    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
  3  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
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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  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  2  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0179258

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCC(O)\C=C\C=C/CCCCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+

> <INCHI_KEY>
ZTRWPEHMGCHTIT-QWAPPMFBSA-N

> <FORMULA>
C20H36O3

> <MOLECULAR_WEIGHT>
324.505

> <EXACT_MASS>
324.266445019

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
40.770715422648884

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(11Z,13E)-15-hydroxyicosa-11,13-dienoic acid

> <JCHEM_LOGP>
6.080203057333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
17.795677909269454

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.9520197839924585

> <JCHEM_PKA_STRONGEST_BASIC>
-1.5759706112494363

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
99.23629999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
16

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(11Z,13E)-15-hydroxyicosa-11,13-dienoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 03-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-SEP-22         0                                  
HETATM    1  C   UNK     0      -0.096  15.345   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.238  14.575   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.238  13.035   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.572  12.265   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.572  10.725   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.905   9.955   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       5.239  10.725   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.905   8.415   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       5.239   7.645   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.239   6.105   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.573   5.335   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.906   6.105   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.574   6.105   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.907   5.335   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      13.241   6.105   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.575   5.335   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      15.908   6.105   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      17.242   5.335   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      18.576   6.105   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      19.909   5.335   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      21.243   6.105   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0      19.909   3.795   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    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                                                       
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
(+-)-15-HEDE	ChEBI
15-Hydroxy-11Z,13E-eicosadienoic acid	ChEBI
15-Hydroxy-11Z,13E-eicosadienoate	Generator

Chemical Formula

C₂₀H₃₆O₃

Average Mass

324.5050 Da

Monoisotopic Mass

324.26645 Da

IUPAC Name

(11Z,13E)-15-hydroxyicosa-11,13-dienoic acid

Traditional Name

(11Z,13E)-15-hydroxyicosa-11,13-dienoic acid

CAS Registry Number

Not Available

SMILES

CCCCCC(O)\C=C\C=C/CCCCCCCCCC(O)=O

InChI Identifier

InChI=1S/C20H36O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h9,11,14,17,19,21H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+

InChI Key

ZTRWPEHMGCHTIT-QWAPPMFBSA-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 other hydroxyeicosapolyenoic acids. These are hydroxyeicosapolyenoic acids which do not belong to the Hydroxyeicosapentaenoic acids, the Hydroxyeicosatetraenoic acids, or the Hydroxyeicosatrienoic acids.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Eicosanoids

Direct Parent

Other hydroxyeicosapolyenoic acids

Alternative Parents

Substituents

Hydroxyeicosapolyenoic acid
Long-chain fatty acid
Hydroxy fatty acid
Fatty acid
Unsaturated fatty acid
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Alcohol
Carbonyl group
Organooxygen compound
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

HEDE (CHEBI:72847 )

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	6.08	ChemAxon
pKa (Strongest Acidic)	4.95	ChemAxon
pKa (Strongest Basic)	-1.6	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	16	ChemAxon
Refractivity	99.24 m³·mol⁻¹	ChemAxon
Polarizability	40.77 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

23177608

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

13723965

PDB ID

Not Available

ChEBI ID

72847

Good Scents ID

Not Available

References

General References

Miyata K, Horikami D, Tachibana Y, Yamamoto T, Nakamura T, Kobayashi K, Murata T: 15-hydroxy eicosadienoic acid is an exacerbating factor for nasal congestion in mice. FASEB J. 2022 Jan;36(1):e22085. doi: 10.1096/fj.202101305R. [PubMed:34888952 ]
Kolmert J, Pineiro-Hermida S, Hamberg M, Gregory JA, Lopez IP, Fauland A, Wheelock CE, Dahlen SE, Pichel JG, Adner M: Prominent release of lipoxygenase generated mediators in a murine house dust mite-induced asthma model. Prostaglandins Other Lipid Mediat. 2018 Jul;137:20-29. doi: 10.1016/j.prostaglandins.2018.05.005. Epub 2018 May 12. [PubMed:29763661 ]
Wu CC, Cheng J, Zhang FF, Gotlinger KH, Kelkar M, Zhang Y, Jat JL, Falck JR, Schwartzman ML: Androgen-dependent hypertension is mediated by 20-hydroxy-5,8,11,14-eicosatetraenoic acid-induced vascular dysfunction: role of inhibitor of kappaB Kinase. Hypertension. 2011 Apr;57(4):788-94. doi: 10.1161/HYPERTENSIONAHA.110.161570. Epub 2011 Feb 14. [PubMed:21321301 ]
LOTUS database [Link]

Showing NP-Card for 15-hede (NP0179258)

MOL for NP0179258 (15-hede)

3D MOL for NP0179258 (15-hede)

3D SDF for NP0179258 (15-hede)

3D-SDF for NP0179258 (15-hede)

PDB for NP0179258 (15-hede)

3D PDB for NP0179258 (15-hede)

SMILES for NP0179258 (15-hede)

INCHI for NP0179258 (15-hede)

Structure for NP0179258 (15-hede)

3D Structure for NP0179258 (15-hede)