NP-MRD: Showing NP-Card for isomerized safflower acid (NP0271180)

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Record Information

Version

2.0

Created at

2022-09-08 17:23:24 UTC

Updated at

2022-09-08 17:23:24 UTC

NP-MRD ID

NP0271180

Secondary Accession Numbers

None

Natural Product Identification

Common Name

isomerized safflower acid

Description

Octadecadienoate belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. isomerized safflower acid is found in Abies spectabilis, Acacia auriculiformis, Arbacia punctulata, Ballota nigra, Celastrus hypoleucus, Hibiscus syriacus, Lumbricus terrestris, Teucrium royleanum and Trichoderma virens. Octadecadienoate is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 52 51  0  0  0  0  0  0  0  0999 V2000
   -5.5509   -1.8595   -2.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5287   -1.2091   -1.4288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8101   -0.1935   -0.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7483   -0.9089    0.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0077    0.0607    1.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3490    1.1413    0.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5946    2.1235    1.1729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5047    1.4512    1.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4775    0.7789    1.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2139    1.7542    0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2443    1.0869   -0.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3225    0.4251    0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2929   -0.2051   -0.8619 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4154   -0.8960   -0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6479   -0.4805   -0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7626   -1.1233    0.3098 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9979   -0.6956    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0914   -1.3403    0.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9071   -2.2812    1.5500 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4040   -0.9384    0.5355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0837   -2.1584   -3.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1188   -2.7930   -1.9606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7356   -1.1610   -2.5990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2912   -0.6670   -1.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0112   -1.9976   -0.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3749    0.5497   -1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5001    0.3084    0.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1775   -1.7565    0.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0063   -1.3715   -0.4587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2802   -0.5384    1.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6767    0.5394    1.8601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7681    0.7718   -0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1919    1.7580   -0.1337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1071    2.9158    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3116    2.6312    1.8479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0025    0.7331    2.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9898    2.1859    2.6245 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3225    0.4175    1.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8397   -0.1136    0.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810    2.5317    0.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5169    2.2410   -0.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7277    0.3437   -1.3357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7490    1.8015   -1.3573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8310    1.1853    0.7531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9190   -0.3480    0.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6740    0.5665   -1.5426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7666   -0.9970   -1.4324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1917   -1.6941    0.5353 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7954    0.3376   -1.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5736   -1.9316    0.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1862    0.1152   -0.6214 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8377   -1.0961   -0.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  1  0
 13 12  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  3  1  0
  3  2  1  0
  2  1  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 20  1  0
 18 19  2  0
 14 48  1  0
 13 46  1  0
 13 47  1  0
 12 44  1  0
 12 45  1  0
 11 42  1  0
 11 43  1  0
 10 40  1  0
 10 41  1  0
  9 38  1  0
  9 39  1  0
  8 36  1  0
  8 37  1  0
  7 34  1  0
  7 35  1  0
  6 32  1  0
  6 33  1  0
  5 30  1  0
  5 31  1  0
  4 28  1  0
  4 29  1  0
  3 26  1  0
  3 27  1  0
  2 24  1  0
  2 25  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
 15 49  1  0
 16 50  1  0
 17 51  1  0
 20 52  1  0
M  END

  Mrv0541 09041213012D          

 24 23  0  0  0  0            999 V2000
    4.7586    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9020    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6164    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0454    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7599    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1888    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9033    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6177    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4756    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1901    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9046    3.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9046    4.8099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6190    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0467    4.8099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7612    2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4756    4.8099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1901    2.7474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 14  1  0  0  0  0
 22 15  1  0  0  0  0
 23 16  1  0  0  0  0
 24 17  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0271180

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]\C(CCCCCCCCCCCCC)=C(\[H])/C(/[H])=C(\[H])C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)/b15-14+,17-16+

> <INCHI_KEY>
ADHNUPOJJCKWRT-JLXBFWJWSA-N

> <FORMULA>
C18H32O2

> <MOLECULAR_WEIGHT>
280.4455

> <EXACT_MASS>
280.240230268

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
36.91156719024099

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E,4E)-octadeca-2,4-dienoic acid

> <ALOGPS_LOGP>
7.80

> <JCHEM_LOGP>
6.781621940666667

> <ALOGPS_LOGS>
-6.55

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.944465468321387

> <JCHEM_POLAR_SURFACE_AREA>
37.3

> <JCHEM_REFRACTIVITY>
88.49549999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.89e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4E)-octadeca-2,4-dienoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-12         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   21  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   22  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   23  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   24  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
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   15   21                                                  
CONECT   15   14   16   22                                                  
CONECT   16   15   17   23                                                  
CONECT   17   16   18   24                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21   14                                                            
CONECT   22   15                                                            
CONECT   23   16                                                            
CONECT   24   17                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   46    0
END

View in JSmol

Synonyms

Value	Source
Octadecadienoic acid	Generator
7 trans,9 cis-Octadecadienoic acid	MeSH
2,4-Octadecadienoate	Generator

Chemical Formula

C₁₈H₃₂O₂

Average Mass

280.4455 Da

Monoisotopic Mass

280.24023 Da

IUPAC Name

(2E,4E)-octadeca-2,4-dienoic acid

Traditional Name

(2E,4E)-octadeca-2,4-dienoic acid

CAS Registry Number

Not Available

SMILES

[H]\C(CCCCCCCCCCCCC)=C(\[H])/C(/[H])=C(\[H])C(O)=O

InChI Identifier

InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h14-17H,2-13H2,1H3,(H,19,20)/b15-14+,17-16+

InChI Key

ADHNUPOJJCKWRT-JLXBFWJWSA-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
Abies spectabilis	LOTUS Database	35616633
Acacia auriculiformis	LOTUS Database	35616633
Arbacia punctulata	LOTUS Database	35616633
Ballota nigra	LOTUS Database	35616633
Celastrus hypoleucus	LOTUS Database	35616633
Hibiscus syriacus	LOTUS Database	35616633
Lumbricus terrestris	LOTUS Database	35616633
Teucrium royleanum	LOTUS Database	35616633
Trichoderma virens	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as lineolic acids and derivatives. These are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Lineolic acids and derivatives

Direct Parent

Lineolic acids and derivatives

Alternative Parents

Substituents

Octadecanoid
Long-chain fatty acid
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

Unsaturated fatty acids (LMFA01030306 )

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	7.8	ALOGPS
logP	6.78	ChemAxon
logS	-6.6	ALOGPS
pKa (Strongest Acidic)	4.94	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	88.5 m³·mol⁻¹	ChemAxon
Polarizability	36.91 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

HMDB0062784

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

Octadecadienoic acid

METLIN ID

Not Available

PubChem Compound

5312457

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for isomerized safflower acid (NP0271180)

MOL for NP0271180 (isomerized safflower acid)

3D MOL for NP0271180 (isomerized safflower acid)

3D SDF for NP0271180 (isomerized safflower acid)

3D-SDF for NP0271180 (isomerized safflower acid)

PDB for NP0271180 (isomerized safflower acid)

3D PDB for NP0271180 (isomerized safflower acid)

SMILES for NP0271180 (isomerized safflower acid)

INCHI for NP0271180 (isomerized safflower acid)

Structure for NP0271180 (isomerized safflower acid)

3D Structure for NP0271180 (isomerized safflower acid)