NP-MRD: Showing NP-Card for (5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid (NP0259322)

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Record Information

Version

2.0

Created at

2022-09-08 01:09:25 UTC

Updated at

2022-09-08 01:09:25 UTC

NP-MRD ID

NP0259322

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid

Description

Juniperonic acid, also known as C20:4N-3,6,9,15 or juniperonate, 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. (5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid is found in Juniperus phoenicea and Platycladus orientalis. (5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid was first documented in 2007 (PMID: 17451430). Juniperonic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral (PMID: 18758077) (PMID: 22908582) (PMID: 24659112).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 54 53  0  0  0  0  0  0  0  0999 V2000
    8.9298    1.3488   -0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1380    0.2822    0.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1594    0.9927    1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8539    0.9041    0.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2338   -0.0289   -0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3454    0.6950   -0.9574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0744    0.5006   -1.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3430   -0.5283   -0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2188    0.0705    0.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0115   -0.3084    0.1986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4531   -1.2909   -0.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4022   -0.7725   -1.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6538   -0.1429   -1.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7379   -0.8440   -0.6907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5005   -1.2934    0.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1293   -0.9305    1.7192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2057   -0.0363    1.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0618    0.6187    0.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9953   -0.3721    0.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8381    0.2882   -0.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6678   -0.3831   -1.3607 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7326    1.6412   -0.9575 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5101    0.9298   -1.3934 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6182    1.8217    0.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1755    2.0880   -0.9292 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8909   -0.1695    0.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8456   -0.5533   -0.4079 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5760    1.6940    1.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1906    1.4742    1.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0453   -0.4906   -0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8088   -0.8997    0.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160    1.4886   -1.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5128    1.0957   -1.8317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1302   -1.4308   -0.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0484   -0.8736    0.4759 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4319    0.8301    1.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7960    0.1719    0.8106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8602   -2.1821   -0.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4008   -1.7197   -1.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6351   -1.6161   -2.5267 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7719   -0.0778   -2.4586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4334    0.8740   -1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1595    0.1554   -2.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7215   -0.4106   -0.9498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8262   -1.8329   -1.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6917   -2.0795    0.8187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7073   -1.4585    2.6774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9328    0.7291    2.7988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9654   -0.6392    2.5970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6089    1.3526    0.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7852    1.2935    1.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7382   -0.6696    1.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5508   -1.3223    0.0115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7238    2.0165   -1.9060 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 22  1  0
 20 21  2  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  2 26  1  0
  2 27  1  0
  3 28  1  0
  4 29  1  0
  5 30  1  0
  5 31  1  0
  6 32  1  0
  7 33  1  0
  8 34  1  0
  8 35  1  0
  9 36  1  0
 10 37  1  0
 11 38  1  0
 11 39  1  0
 12 40  1  0
 12 41  1  0
 13 42  1  0
 13 43  1  0
 14 44  1  0
 14 45  1  0
 15 46  1  0
 16 47  1  0
 17 48  1  0
 17 49  1  0
 18 50  1  0
 18 51  1  0
 19 52  1  0
 19 53  1  0
 22 54  1  0
M  END


  Mrv1652309272006302D          

 22 21  0  0  0  0            999 V2000
 9983.6363 9984.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9984.3498 9984.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9985.0676 9984.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9985.7821 9984.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9986.6075 9984.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9987.3225 9984.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.0373 9984.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9988.8626 9984.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9989.5776 9984.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9990.2924 9984.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.1178 9984.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9991.8327 9984.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9992.5476 9984.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9982.9206 9984.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9982.2051 9984.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9981.3801 9984.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9980.6666 9984.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9979.9510 9984.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9979.2353 9984.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9978.5218 9984.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9977.8061 9984.5632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9978.5218 9985.8005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  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  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  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
 20 22  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0259322

> <DATABASE_NAME>
NP-MRD

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

> <INCHI_IDENTIFIER>
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,16-15-

> <INCHI_KEY>
JDKIKEYFSJUYJZ-OUJQXAOTSA-N

> <FORMULA>
C20H32O2

> <MOLECULAR_WEIGHT>
304.474

> <EXACT_MASS>
304.24023027

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
54

> <JCHEM_AVERAGE_POLARIZABILITY>
37.3455322775292

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(5Z,11Z,14Z,17Z)-icosa-5,11,14,17-tetraenoic acid

> <ALOGPS_LOGP>
6.84

> <JCHEM_LOGP>
6.587170811

> <ALOGPS_LOGS>
-6.28

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.885676019177561

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
99.954

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.59e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(5Z,11Z,14Z,17Z)-icosa-5,11,14,17-tetraenoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0    8636.1218638.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0    8637.4538637.851   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0    8638.7938638.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0    8640.1278637.851   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0    8641.6678637.851   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0    8643.0028638.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0    8644.3368637.851   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8645.8778637.851   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8647.2118638.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8648.5468637.851   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8650.0878637.851   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8651.4218638.620   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0    8652.7558637.851   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0    8634.7858637.851   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8633.4508638.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8631.9108638.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8630.5788637.851   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8629.2428638.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8627.9068637.851   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8626.5748638.620   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0    8625.2388637.851   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0    8626.5748640.161   0.000  0.00  0.00           O+0
CONECT    1    2   14                                                       
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                                                            
CONECT   14    1   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   22                                                  
CONECT   21   20                                                            
CONECT   22   20                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   42    0
END

View in JSmol

Synonyms

Value	Source
(5Z,11Z,14Z,17Z)-Eicosatetraenoic acid	ChEBI
5Z,11Z,14Z,17Z-Eicosatetraenoic acid	ChEBI
all-cis-5,11,14,17-Eicosatetraenoic acid	ChEBI
all-cis-5,11,14,17-Icosatetraenoic acid	ChEBI
C20:4N-3,6,9,15	ChEBI
(5Z,11Z,14Z,17Z)-Eicosatetraenoate	Generator
5Z,11Z,14Z,17Z-Eicosatetraenoate	Generator
all-cis-5,11,14,17-Eicosatetraenoate	Generator
all-cis-5,11,14,17-Icosatetraenoate	Generator
Juniperonate	Generator
(5Z,11Z,14Z,17Z)-5,11,14,17-Eicosatetraenoic acid	PhytoBank
(all-Z)-5,11,14,17-Eicosatetraenoic acid	PhytoBank
FA(20:4(5Z,11Z,14Z,17Z))	PhytoBank

Chemical Formula

C₂₀H₃₂O₂

Average Mass

304.4740 Da

Monoisotopic Mass

304.24023 Da

IUPAC Name

(5Z,11Z,14Z,17Z)-icosa-5,11,14,17-tetraenoic acid

Traditional Name

(5Z,11Z,14Z,17Z)-icosa-5,11,14,17-tetraenoic acid

CAS Registry Number

Not Available

SMILES

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

InChI Identifier

InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,15-16H,2,5,8,11-14,17-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-,16-15-

InChI Key

JDKIKEYFSJUYJZ-OUJQXAOTSA-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
Juniperus phoenicea	LOTUS Database	35616633
Platycladus orientalis	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
Unsaturated fatty acid
Straight chain fatty acid
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

icosatetraenoic acid (CHEBI:82835 )
Unsaturated fatty acids (LMFA01030394 )

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	6.84	ALOGPS
logP	6.59	ChemAxon
logS	-6.3	ALOGPS
pKa (Strongest Acidic)	4.89	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	37.3 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	99.95 m³·mol⁻¹	ChemAxon
Polarizability	37.35 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

4471968

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5312543

PDB ID

Not Available

ChEBI ID

82835

Good Scents ID

Not Available

References

General References

Tanaka T, Morishige J, Iwawaki D, Fukuhara T, Hamamura N, Hirano K, Osumi T, Satouchi K: Metabolic pathway that produces essential fatty acids from polymethylene-interrupted polyunsaturated fatty acids in animal cells. FEBS J. 2007 Jun;274(11):2728-37. doi: 10.1111/j.1742-4658.2007.05807.x. Epub 2007 Apr 20. [PubMed:17451430 ]
Morishige J, Amano N, Hirano K, Nishio H, Tanaka T, Satouchi K: Inhibitory effect of juniperonic acid (Delta-5c,11c,14c,17c-20:4, omega-3) on bombesin-induced proliferation of Swiss 3T3 cells. Biol Pharm Bull. 2008 Sep;31(9):1786-9. doi: 10.1248/bpb.31.1786. [PubMed:18758077 ]
Guvenc A, Kucukboyaci N, Goren AC: Fatty acid composition of Juniperus species (Juniperus section) native to Turkey. Nat Prod Commun. 2012 Jul;7(7):919-22. [PubMed:22908582 ]
Tanaka T, Uozumi S, Morito K, Osumi T, Tokumura A: Metabolic conversion of C20 polymethylene-interrupted polyunsaturated fatty acids to essential fatty acids. Lipids. 2014 May;49(5):423-9. doi: 10.1007/s11745-014-3896-5. [PubMed:24659112 ]
LOTUS database [Link]

Showing NP-Card for (5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid (NP0259322)

MOL for NP0259322 ((5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid)

3D MOL for NP0259322 ((5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid)

3D SDF for NP0259322 ((5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid)

3D-SDF for NP0259322 ((5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid)

PDB for NP0259322 ((5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid)

3D PDB for NP0259322 ((5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid)

SMILES for NP0259322 ((5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid)

INCHI for NP0259322 ((5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid)

Structure for NP0259322 ((5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid)

3D Structure for NP0259322 ((5z,11z,14z,17z)-icosa-5,11,14,17-tetraenoic acid)