NP-MRD: Showing NP-Card for 1-pentacosene (NP0233047)

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Record Information

Version

2.0

Created at

2022-09-06 14:29:58 UTC

Updated at

2022-09-06 14:29:58 UTC

NP-MRD ID

NP0233047

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-pentacosene

Description

Pentacos-1-ene, also known as N-C13H27CH=ch2, belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds. Thus, pentacos-1-ene is considered to be a hydrocarbon. Pentacos-1-ene is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. 1-pentacosene is found in Nelumbo lutea and Vanilla tahitensis. Based on a literature review very few articles have been published on pentacos-1-ene.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 75 74  0  0  0  0  0  0  0  0999 V2000
   -7.8181    1.2802   -1.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6344    0.8236   -0.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6312    1.0391    0.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4771   -0.0853    1.9081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2198   -0.8460    1.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7772   -1.5870    0.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4322   -2.2930    0.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3356   -1.3250    1.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0643   -0.3593    0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6073   -1.0891   -1.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2957   -1.8170   -0.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1628   -0.8281   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0839   -1.6454   -0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2763   -0.7681   -0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0731    0.0937    1.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2665    0.9785    1.4158 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5093    0.1920    1.6820 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7163    1.0343    1.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1303    1.9490    0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5092    1.2405   -0.4120 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6591    0.2822   -0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0736   -0.4207   -1.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5373    0.5437   -2.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7220    1.3715   -2.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1356    2.3054   -3.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1161    0.9219   -2.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9125    1.8224   -1.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4729    0.1577   -0.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8211    1.8246    1.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5583    1.6217    1.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6555    0.3011    2.9583 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3109   -0.8572    1.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3561   -1.6439    2.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3772   -0.2340    2.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6564   -1.0290   -0.1843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5275   -2.4006    0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2392   -2.9350    0.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5965   -2.8819    1.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3705   -1.8669    1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5401   -0.7399    2.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3581    0.3849    0.5049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0143    0.1563   -0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3538   -1.8040   -1.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4563   -0.3191   -1.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0002   -2.3268   -1.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3774   -2.5854   -0.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0434   -0.1454   -1.3998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4492   -0.2544    0.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2647   -2.2999   -1.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0995   -2.3169    0.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4494   -0.0944   -0.9408 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1654   -1.4365    0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1936    0.7633    0.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8146   -0.5283    2.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3755    1.6665    0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0249    1.6456    2.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3130   -0.3851    2.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7224   -0.5387    0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5347    0.3379    2.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5018    1.6333    2.8712 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0113    2.5368    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2939    2.6279    0.6240 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6606    0.7346   -0.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8785    2.0227   -1.1105 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3365   -0.5394    0.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4931    0.8098    0.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8810   -1.1458   -1.2676 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1710   -0.9483   -1.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8062   -0.0539   -3.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6837    1.1894   -2.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5516    0.6767   -1.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5026    1.9114   -1.0979 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5616    2.1796   -4.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9952    3.3774   -2.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2391    2.1921   -3.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
 25 24  1  0
 24 23  1  0
 23 22  1  0
 22 21  1  0
 21 20  1  0
 20 19  1  0
 19 18  1  0
 18 17  1  0
 17 16  1  0
 16 15  1  0
 15 14  1  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  2  3
 25 73  1  0
 25 74  1  0
 25 75  1  0
 24 71  1  0
 24 72  1  0
 23 69  1  0
 23 70  1  0
 22 67  1  0
 22 68  1  0
 21 65  1  0
 21 66  1  0
 20 63  1  0
 20 64  1  0
 19 61  1  0
 19 62  1  0
 18 59  1  0
 18 60  1  0
 17 57  1  0
 17 58  1  0
 16 55  1  0
 16 56  1  0
 15 53  1  0
 15 54  1  0
 14 51  1  0
 14 52  1  0
 13 49  1  0
 13 50  1  0
 12 47  1  0
 12 48  1  0
 11 45  1  0
 11 46  1  0
 10 43  1  0
 10 44  1  0
  9 41  1  0
  9 42  1  0
  8 39  1  0
  8 40  1  0
  7 37  1  0
  7 38  1  0
  6 35  1  0
  6 36  1  0
  5 33  1  0
  5 34  1  0
  4 31  1  0
  4 32  1  0
  3 29  1  0
  3 30  1  0
  2 28  1  0
  1 26  1  0
  1 27  1  0
M  END


  Mrv1652309062216292D          

 25 24  0  0  0  0            999 V2000
   12.8980    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6125    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3270    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0414    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7559    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4704    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1849    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8993    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6138    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3283    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0427    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7572    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4717    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1862    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9006    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6151    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3296    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0440    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7585    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4730    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1874    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9019    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6164    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3309    7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0453    8.2717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  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  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0233047

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCCCCCCCCCCCCCCCCCC=C

> <INCHI_IDENTIFIER>
InChI=1S/C25H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-25H2,2H3

> <INCHI_KEY>
BDWBGSCECOPTTH-UHFFFAOYSA-N

> <FORMULA>
C25H50

> <MOLECULAR_WEIGHT>
350.675

> <EXACT_MASS>
350.39125161

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
51.68375431774052

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
pentacos-1-ene

> <JCHEM_LOGP>
11.273954541333335

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
116.87129999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
22

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
pentacos-1-ene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      24.076  15.440   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      25.410  14.670   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      26.744  15.440   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      28.077  14.670   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      29.411  15.440   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      30.745  14.670   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      32.078  15.440   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      33.412  14.670   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      34.746  15.440   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      36.079  14.670   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      37.413  15.440   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      38.747  14.670   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      40.080  15.440   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      41.414  14.670   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      42.748  15.440   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      44.082  14.670   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      45.415  15.440   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      46.749  14.670   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      48.083  15.440   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      49.416  14.670   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      50.750  15.440   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      52.084  14.670   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      53.417  15.440   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      54.751  14.670   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      56.085  15.440   0.000  0.00  0.00           C+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                                                       
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                                                       
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24                                                            
MASTER        0    0    0    0    0    0    0    0   25    0   48    0
END

View in JSmol

Synonyms

Value	Source
1-Pentacosene	ChEBI
N-C13H27CH=ch2	ChEBI

Chemical Formula

C₂₅H₅₀

Average Mass

350.6750 Da

Monoisotopic Mass

350.39125 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC=C

InChI Identifier

InChI=1S/C25H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-25H2,2H3

InChI Key

BDWBGSCECOPTTH-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

Species Name	Source	Reference
Nelumbo lutea	LOTUS Database	35616633
Vanilla x tahitensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as unsaturated aliphatic hydrocarbons. These are aliphatic Hydrocarbons that contains one or more unsaturated carbon atoms. These compounds contain one or more double or triple bonds.

Kingdom

Organic compounds

Super Class

Hydrocarbons

Class

Unsaturated hydrocarbons

Sub Class

Unsaturated aliphatic hydrocarbons

Direct Parent

Unsaturated aliphatic hydrocarbons

Alternative Parents

Alkenes

Substituents

Unsaturated aliphatic hydrocarbon
Olefin
Alkene
Acyclic olefin
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

alkene (CHEBI:78465 )
Hydrocarbons (LMFA11000326 )

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

460992

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

528972

PDB ID

Not Available

ChEBI ID

78465

Good Scents ID

rw1122061

References

General References

LOTUS database [Link]

Showing NP-Card for 1-pentacosene (NP0233047)

MOL for NP0233047 (1-pentacosene)

3D MOL for NP0233047 (1-pentacosene)

3D SDF for NP0233047 (1-pentacosene)

3D-SDF for NP0233047 (1-pentacosene)

PDB for NP0233047 (1-pentacosene)

3D PDB for NP0233047 (1-pentacosene)

SMILES for NP0233047 (1-pentacosene)

INCHI for NP0233047 (1-pentacosene)

Structure for NP0233047 (1-pentacosene)

3D Structure for NP0233047 (1-pentacosene)