NP-MRD: Showing NP-Card for 25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid (NP0241542)

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Record Information

Version

2.0

Created at

2022-09-07 01:38:49 UTC

Updated at

2022-09-07 01:38:50 UTC

NP-MRD ID

NP0241542

Secondary Accession Numbers

None

Natural Product Identification

Common Name

25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid

Description

25-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. Based on a literature review very few articles have been published on 25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309072203382D          

 43 43  0  0  0  0            999 V2000
    9.2881    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.2894    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  3  2  1  4  0  0  0
  3  4  2  0  0  0  0
  5  4  1  4  0  0  0
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  8  9  2  0  0  0  0
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  2 21  2  0  0  0  0
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 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1652309072203382D          

 43 43  0  0  0  0            999 V2000
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   10.7171    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5749    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2894    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0039    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7184    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4328    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1473    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8618    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2907    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5762    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3272    1.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1018    1.9659    0.0000 C   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
  5  4  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  8  6  1  4  0  0  0
  8  9  2  0  0  0  0
 10  9  1  4  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 11  1  4  0  0  0
 13 14  2  0  0  0  0
 15 14  1  4  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
  2 21  2  0  0  0  0
 21 22  1  4  0  0  0
 22 23  2  0  0  0  0
 23 24  1  4  0  0  0
 24 25  2  0  0  0  0
 25 26  1  4  0  0  0
 27 25  1  4  0  0  0
 27 28  2  0  0  0  0
 29 28  1  4  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 32 30  1  4  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 34 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0241542

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C=CC=C(C)C=CC=C(C)C=CC=C(C)C(O)=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCC(O)C1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H52O3/c1-30(18-12-20-32(3)21-13-22-33(4)24-15-25-36(7)39(42)43)16-10-11-17-31(2)19-14-23-34(5)26-28-37-35(6)27-29-38(41)40(37,8)9/h10-26,28,38,41H,27,29H2,1-9H3,(H,42,43)

> <INCHI_KEY>
RLLMPIRJCIILLC-UHFFFAOYSA-N

> <FORMULA>
C40H52O3

> <MOLECULAR_WEIGHT>
580.853

> <EXACT_MASS>
580.391645534

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
95

> <JCHEM_AVERAGE_POLARIZABILITY>
73.10070525184705

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid

> <JCHEM_LOGP>
9.126916335000004

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
19.49116072083822

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.946210193814183

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8343670204992867

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
199.05820000000006

> <JCHEM_ROTATABLE_BOND_COUNT>
13

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 07-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-SEP-22         0                                  
HETATM    1  C   UNK     0      17.338   2.310   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      17.338   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      18.672   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      20.005   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      21.339   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      22.673   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      22.673   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      24.006   4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      25.340   3.850   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      26.674   4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      28.007   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      28.007   2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      29.341   4.620   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      30.675   3.850   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      32.008   4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      33.342   3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      33.342   2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      34.676   4.620   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      36.009   3.850   0.000  0.00  0.00           O+0
HETATM   20  O   UNK     0      34.676   6.160   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      16.004   4.620   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.670   3.850   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      13.337   4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.669   6.160   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       0.000  -0.000   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.611   3.670   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       2.057   3.670   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
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   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18                                                            
CONECT   21    2   22                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   41                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   34   42   43                                             
CONECT   42   41                                                            
CONECT   43   41                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   86    0
END

View in JSmol

Synonyms

Value	Source
25-(5-Hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoate	Generator

Chemical Formula

C₄₀H₅₂O₃

Average Mass

580.8530 Da

Monoisotopic Mass

580.39165 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C=CC=C(C)C=CC=C(C)C=CC=C(C)C(O)=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCC(O)C1(C)C

InChI Identifier

InChI=1S/C40H52O3/c1-30(18-12-20-32(3)21-13-22-33(4)24-15-25-36(7)39(42)43)16-10-11-17-31(2)19-14-23-34(5)26-28-37-35(6)27-29-38(41)40(37,8)9/h10-26,28,38,41H,27,29H2,1-9H3,(H,42,43)

InChI Key

RLLMPIRJCIILLC-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, 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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Xanthophylls

Alternative Parents

Substituents

Xanthophyll
Very long-chain fatty acid
Branched fatty acid
Hydroxy fatty acid
Methyl-branched fatty acid
Unsaturated fatty acid
Fatty acyl
Fatty acid
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Alcohol
Organooxygen compound
Organic oxide
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic homomonocyclic 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

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

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

162993671

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid (NP0241542)

MOL for NP0241542 (25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid)

3D MOL for NP0241542 (25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid)

3D SDF for NP0241542 (25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid)

3D-SDF for NP0241542 (25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid)

PDB for NP0241542 (25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid)

3D PDB for NP0241542 (25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid)

SMILES for NP0241542 (25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid)

INCHI for NP0241542 (25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid)

Structure for NP0241542 (25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid)

3D Structure for NP0241542 (25-(5-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,6,10,14,19,23-hexamethylpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaenoic acid)