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Showing metabocard for 1,4-Undecadiene (HMDB0032712)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:51:20 UTC
Update Date2022-03-07 02:53:26 UTC
HMDB IDHMDB0032712
Secondary Accession Numbers
  • HMDB32712
Metabolite Identification
Common Name1,4-Undecadiene
Description1,4-Undecadiene belongs to the class of organic compounds known as alkadienes. These are acyclic hydrocarbons that contain exactly two carbon-to-carbon double bonds. Based on a literature review very few articles have been published on 1,4-Undecadiene.
Structure
Data?1563862296
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0032712 (1,4-Undecadiene)


  Mrv0541 02241209172D          

 11 10  0  0  0  0            999 V2000
   -2.8056   -1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8056   -0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0736    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4229   -0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6910    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0403   -0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4229    1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8056    1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  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
M  END
Download

3D MOL for HMDB0032712 (1,4-Undecadiene)

HMDB0032712
     RDKit          3D
1,4-Undecadiene
 31 30  0  0  0  0  0  0  0  0999 V2000
    4.4466    1.1481    0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6060    0.1520   -0.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5705   -0.8933   -0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   -0.6224    0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860   -0.4264   -0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -0.1651    0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9947   -1.1849    0.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6693   -1.2656   -0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2974    0.0358   -0.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3523    0.4996   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9565    1.8213   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5376    1.2066    0.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    1.9168    0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    0.0944   -1.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9962   -1.9028   -0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2421   -0.9015   -1.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6473   -0.5898    1.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0428   -0.4740   -1.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739    0.8622    0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5280   -0.1840    1.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7278   -0.9179    1.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5706   -2.1629    1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290   -1.9884   -0.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0512   -1.7041   -1.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5349    0.8500   -1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8078   -0.0938   -1.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8999    0.6474    1.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1685   -0.2410    0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6252    1.6471   -1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4768    2.3445    0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1092    2.4920   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 11 31  1  0
M  END
Download

3D SDF for HMDB0032712 (1,4-Undecadiene)


  Mrv0541 02241209172D          

 11 10  0  0  0  0            999 V2000
   -2.8056   -1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8056   -0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0736    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4229   -0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6910    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0403   -0.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4229    1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    0.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8056    1.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  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
M  END
> <DATABASE_ID>
HMDB0032712

> <DATABASE_NAME>
hmdb

> <SMILES>
CCCCCC\C=C\CC=C

> <INCHI_IDENTIFIER>
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,7,9H,1,4-6,8,10-11H2,2H3/b9-7+

> <INCHI_KEY>
KHZYHTLTISWFGH-VQHVLOKHSA-N

> <FORMULA>
C11H20

> <MOLECULAR_WEIGHT>
152.2765

> <EXACT_MASS>
152.15650064

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
21.023651512707893

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4E)-undeca-1,4-diene

> <ALOGPS_LOGP>
5.64

> <JCHEM_LOGP>
4.688071574666665

> <ALOGPS_LOGS>
-5.04

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
53.573899999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.39e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4E)-undeca-1,4-diene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0032712 (1,4-Undecadiene)

HMDB0032712
     RDKit          3D
1,4-Undecadiene
 31 30  0  0  0  0  0  0  0  0999 V2000
    4.4466    1.1481    0.3811 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6060    0.1520   -0.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5705   -0.8933   -0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4240   -0.6224    0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1860   -0.4264   -0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1138   -0.1651    0.8120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9947   -1.1849    0.7687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6693   -1.2656   -0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2974    0.0358   -0.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3523    0.4996   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9565    1.8213   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5376    1.2066    0.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2022    1.9168    0.4978 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5022    0.0944   -1.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9962   -1.9028   -0.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2421   -0.9015   -1.6852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6473   -0.5898    1.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0428   -0.4740   -1.2260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2739    0.8622    0.6566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5280   -0.1840    1.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7278   -0.9179    1.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5706   -2.1629    1.0638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290   -1.9884   -0.4304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0512   -1.7041   -1.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5349    0.8500   -1.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8078   -0.0938   -1.9541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8999    0.6474    1.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1685   -0.2410    0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6252    1.6471   -1.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4768    2.3445    0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1092    2.4920   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  7 22  1  0
  8 23  1  0
  8 24  1  0
  9 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
 11 30  1  0
 11 31  1  0
M  END
Download

PDB for HMDB0032712 (1,4-Undecadiene)

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -5.237  -2.277   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -5.237  -0.758   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.871   0.001   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.656  -0.758   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.290   0.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.075  -0.758   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.290   0.001   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.290   1.517   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.656   2.277   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.022   1.517   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.237   2.277   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                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   20    0
END
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3D PDB for HMDB0032712 (1,4-Undecadiene)

COMPND    HMDB0032712
HETATM    1  C1  UNL     1       4.447   1.148   0.381  1.00  0.00           C  
HETATM    2  C2  UNL     1       4.606   0.152  -0.465  1.00  0.00           C  
HETATM    3  C3  UNL     1       3.571  -0.893  -0.619  1.00  0.00           C  
HETATM    4  C4  UNL     1       2.424  -0.622   0.285  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.186  -0.426  -0.150  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.114  -0.165   0.812  1.00  0.00           C  
HETATM    7  C7  UNL     1      -0.995  -1.185   0.769  1.00  0.00           C  
HETATM    8  C8  UNL     1      -1.669  -1.266  -0.561  1.00  0.00           C  
HETATM    9  C9  UNL     1      -2.297   0.036  -0.982  1.00  0.00           C  
HETATM   10  C10 UNL     1      -3.352   0.500  -0.000  1.00  0.00           C  
HETATM   11  C11 UNL     1      -3.957   1.821  -0.480  1.00  0.00           C  
HETATM   12  H1  UNL     1       3.538   1.207   0.980  1.00  0.00           H  
HETATM   13  H2  UNL     1       5.202   1.917   0.498  1.00  0.00           H  
HETATM   14  H3  UNL     1       5.502   0.094  -1.055  1.00  0.00           H  
HETATM   15  H4  UNL     1       3.996  -1.903  -0.403  1.00  0.00           H  
HETATM   16  H5  UNL     1       3.242  -0.902  -1.685  1.00  0.00           H  
HETATM   17  H6  UNL     1       2.647  -0.590   1.356  1.00  0.00           H  
HETATM   18  H7  UNL     1       1.043  -0.474  -1.226  1.00  0.00           H  
HETATM   19  H8  UNL     1      -0.274   0.862   0.657  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.528  -0.184   1.837  1.00  0.00           H  
HETATM   21  H10 UNL     1      -1.728  -0.918   1.546  1.00  0.00           H  
HETATM   22  H11 UNL     1      -0.571  -2.163   1.064  1.00  0.00           H  
HETATM   23  H12 UNL     1      -2.529  -1.988  -0.430  1.00  0.00           H  
HETATM   24  H13 UNL     1      -1.051  -1.704  -1.354  1.00  0.00           H  
HETATM   25  H14 UNL     1      -1.535   0.850  -1.021  1.00  0.00           H  
HETATM   26  H15 UNL     1      -2.808  -0.094  -1.954  1.00  0.00           H  
HETATM   27  H16 UNL     1      -2.900   0.647   1.003  1.00  0.00           H  
HETATM   28  H17 UNL     1      -4.169  -0.241   0.126  1.00  0.00           H  
HETATM   29  H18 UNL     1      -4.625   1.647  -1.338  1.00  0.00           H  
HETATM   30  H19 UNL     1      -4.477   2.345   0.340  1.00  0.00           H  
HETATM   31  H20 UNL     1      -3.109   2.492  -0.790  1.00  0.00           H  
CONECT    1    2    2   12   13
CONECT    2    3   14
CONECT    3    4   15   16
CONECT    4    5    5   17
CONECT    5    6   18
CONECT    6    7   19   20
CONECT    7    8   21   22
CONECT    8    9   23   24
CONECT    9   10   25   26
CONECT   10   11   27   28
CONECT   11   29   30   31
END
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SMILES for HMDB0032712 (1,4-Undecadiene)

CCCCCC\C=C\CC=C
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INCHI for HMDB0032712 (1,4-Undecadiene)

InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,7,9H,1,4-6,8,10-11H2,2H3/b9-7+
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(4E)-1,4-UndecadieneHMDB
(e)-1,4-UndecadieneHMDB
1,4-Undecadiene (e)HMDB
Chemical FormulaC11H20
Average Molecular Weight152.2765
Monoisotopic Molecular Weight152.15650064
IUPAC Name(4E)-undeca-1,4-diene
Traditional Name(4E)-undeca-1,4-diene
CAS Registry Number53786-93-9
SMILES
CCCCCC\C=C\CC=C
InChI Identifier
InChI=1S/C11H20/c1-3-5-7-9-11-10-8-6-4-2/h3,7,9H,1,4-6,8,10-11H2,2H3/b9-7+
InChI KeyKHZYHTLTISWFGH-VQHVLOKHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alkadienes. These are acyclic hydrocarbons that contain exactly two carbon-to-carbon double bonds.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassUnsaturated hydrocarbons
Sub ClassOlefins
Direct ParentAlkadienes
Alternative Parents
Substituents
  • Alkadiene
  • Unsaturated aliphatic hydrocarbon
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.53 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.0014 g/LALOGPS
logP5.64ALOGPS
logP4.69ChemAxon
logS-5ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity53.57 m³·mol⁻¹ChemAxon
Polarizability21.02 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+139.75531661259
DarkChem[M-H]-138.5831661259
DeepCCS[M+H]+144.6630932474
DeepCCS[M-H]-141.84830932474
DeepCCS[M-2H]-178.9730932474
DeepCCS[M+Na]+154.07630932474
AllCCS[M+H]+141.432859911
AllCCS[M+H-H2O]+137.332859911
AllCCS[M+NH4]+145.232859911
AllCCS[M+Na]+146.332859911
AllCCS[M-H]-144.532859911
AllCCS[M+Na-2H]-146.532859911
AllCCS[M+HCOO]-148.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
1,4-UndecadieneCCCCCC\C=C\CC=C1194.4Standard polar33892256
1,4-UndecadieneCCCCCC\C=C\CC=C1078.6Standard non polar33892256
1,4-UndecadieneCCCCCC\C=C\CC=C1067.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - 1,4-Undecadiene GC-MS (Non-derivatized) - 70eV, Positivesplash10-055f-9100000000-a30091166efa440d1dd62017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4-Undecadiene GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - 1,4-Undecadiene GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4-Undecadiene 10V, Positive-QTOFsplash10-0udi-1900000000-68eabdec7aca9dabdc9b2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4-Undecadiene 20V, Positive-QTOFsplash10-0udi-8900000000-0be039bebfe6e42a496c2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4-Undecadiene 40V, Positive-QTOFsplash10-0k96-9000000000-1c0d6a372e6089be51cf2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4-Undecadiene 10V, Negative-QTOFsplash10-0udi-0900000000-532ab972e2249a0937ee2016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4-Undecadiene 20V, Negative-QTOFsplash10-0udi-0900000000-9b4748cf3bbb24dc70602016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4-Undecadiene 40V, Negative-QTOFsplash10-0udr-9600000000-6df81d603a973d1f23342016-08-04Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4-Undecadiene 10V, Negative-QTOFsplash10-0udi-0900000000-3f652c6d11e3a192fbd02021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4-Undecadiene 20V, Negative-QTOFsplash10-0udi-0900000000-3f652c6d11e3a192fbd02021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4-Undecadiene 40V, Negative-QTOFsplash10-0gb9-9400000000-b9090bf4ebb00a531d802021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4-Undecadiene 10V, Positive-QTOFsplash10-0543-9000000000-2956739528ac148338942021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4-Undecadiene 20V, Positive-QTOFsplash10-001i-9000000000-dc2d86fe338eb54d2d862021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 1,4-Undecadiene 40V, Positive-QTOFsplash10-05nf-9000000000-693dbc7901b37010b8032021-09-24Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB010835
KNApSAcK IDC00058132
Chemspider ID4513482
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5358328
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1831061
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .