NP-MRD: Showing NP-Card for 9,10-DiHODE (NP0090865)

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Record Information

Version

2.0

Created at

2022-05-11 18:24:33 UTC

Updated at

2022-05-11 18:24:33 UTC

NP-MRD ID

NP0090865

Secondary Accession Numbers

None

Natural Product Identification

Common Name

9,10-DiHODE

Description

9,10-DiHODE 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. 9,10-DiHODE is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 54 53  0  0  0  0  0  0  0  0999 V2000
    7.8988   -0.0847   -0.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6806   -1.2486    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5356   -1.2943    1.0806 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5137   -0.5913    1.3447 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1328    0.7252    0.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8414    0.5247    0.1366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6846    0.3460   -0.3590 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6230    0.0741    0.7501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6344    1.2008    0.6061 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3259    2.4379    0.6805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1529    1.1056   -0.6205 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0350    2.2114   -0.7425 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1488   -0.0822   -0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0776    0.1723    0.5592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0973   -0.8787    0.7298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0469   -1.1425   -0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7870    0.1231   -0.7631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8546   -0.1112   -1.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9452   -1.0195   -1.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5469   -0.3311   -0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9578   -0.5057    1.0529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6559    0.4554   -0.1267 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2039    0.8410   -0.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8678   -0.2916   -1.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1740    0.0890   -1.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6829   -2.1811   -0.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6491   -1.4504    0.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5655   -2.2446    1.7553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7448   -0.8615    2.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9517    1.1468    0.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0749    1.4163    1.6317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3037    0.6766   -1.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761    0.3824   -1.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0858   -0.0365    1.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0971   -0.8746    0.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230    1.2041    1.5582 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2503    2.2759    1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4259    1.0487   -1.5224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8829    2.6692   -1.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6300   -1.0409   -0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6918   -0.0000   -1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193    0.2012    1.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5179    1.2111    0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6873   -0.7093    1.6682 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5293   -1.8520    0.8817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8179   -1.8624    0.0344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6358   -1.6760   -1.2572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0592    0.8232   -1.2689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1619    0.5534    0.1766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4337   -0.5544   -2.7382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3520    0.8407   -2.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4956   -1.9868   -1.0057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7261   -1.1169   -2.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8006    1.2728    0.4842 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  1  0
  9 11  1  0
 11 12  1  0
 11 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 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  1
 10 37  1  0
 11 38  1  6
 12 39  1  0
 13 40  1  0
 13 41  1  0
 14 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
 16 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


  Mrv0541 02251200532D          

 22 21  0  0  0  0            999 V2000
    6.1875    7.6974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    7.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    6.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    6.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7586    5.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4730    4.8099    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
    6.9020    4.8099    0.0000 O   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
    7.6164    2.7474    0.0000 O   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 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3322    2.7474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  4  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 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
 20 22  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0090865

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCC=CCC=CCC(O)C(O)CCCCCCCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7,10,16-17,19-20H,2,5-6,8-9,11-15H2,1H3,(H,21,22)

> <INCHI_KEY>
QRHSEDZBZMZPOA-UHFFFAOYSA-N

> <FORMULA>
C18H32O4

> <MOLECULAR_WEIGHT>
312.4443

> <EXACT_MASS>
312.230059512

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
37.91657595891324

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
9,10-dihydroxyoctadeca-12,15-dienoic acid

> <ALOGPS_LOGP>
4.88

> <JCHEM_LOGP>
3.9602546603333324

> <ALOGPS_LOGS>
-3.79

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
13.874410270233149

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.615325350926157

> <JCHEM_PKA_STRONGEST_BASIC>
-3.148519701913454

> <JCHEM_POLAR_SURFACE_AREA>
77.75999999999999

> <JCHEM_REFRACTIVITY>
91.54979999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.10e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
9,10-dihydroxyoctadeca-12,15-dienoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 25-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   25-FEB-12         0                                  
HETATM    1  C   UNK     0      11.550  14.368   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      10.216  13.598   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.216  12.058   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.883  11.288   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.883   9.748   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.216   8.978   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.216   7.438   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.550   6.668   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.884   7.438   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      12.884   8.978   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      14.217   6.668   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      14.217   5.128   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      15.551   7.438   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      16.885   6.668   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      18.218   7.438   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      19.552   6.668   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      20.886   7.438   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      22.219   6.668   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      23.553   7.438   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      24.887   6.668   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      26.221   7.438   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      24.887   5.128   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                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   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   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

Not Available

Chemical Formula

C₁₈H₃₂O₄

Average Mass

312.4443 Da

Monoisotopic Mass

312.23006 Da

IUPAC Name

9,10-dihydroxyoctadeca-12,15-dienoic acid

Traditional Name

9,10-dihydroxyoctadeca-12,15-dienoic acid

CAS Registry Number

Not Available

SMILES

CCC=CCC=CCC(O)C(O)CCCCCCCC(O)=O

InChI Identifier

InChI=1S/C18H32O4/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22/h3-4,7,10,16-17,19-20H,2,5-6,8-9,11-15H2,1H3,(H,21,22)

InChI Key

QRHSEDZBZMZPOA-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
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

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
Hydroxy fatty acid
Unsaturated fatty acid
Fatty acid
Secondary alcohol
1,2-diol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen 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	4.88	ALOGPS
logP	3.96	ChemAxon
logS	-3.8	ALOGPS
pKa (Strongest Acidic)	4.62	ChemAxon
pKa (Strongest Basic)	-3.1	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	14	ChemAxon
Refractivity	91.55 m³·mol⁻¹	ChemAxon
Polarizability	37.92 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

FDB027374

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

54242986

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 9,10-DiHODE (NP0090865)

MOL for NP0090865 (9,10-DiHODE)

3D MOL for NP0090865 (9,10-DiHODE)

3D SDF for NP0090865 (9,10-DiHODE)

3D-SDF for NP0090865 (9,10-DiHODE)

PDB for NP0090865 (9,10-DiHODE)

3D PDB for NP0090865 (9,10-DiHODE)

SMILES for NP0090865 (9,10-DiHODE)

INCHI for NP0090865 (9,10-DiHODE)

Structure for NP0090865 (9,10-DiHODE)

3D Structure for NP0090865 (9,10-DiHODE)