Hmdb loader

Showing metabocard for cis-3-Decene (HMDB0061803)

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Record Information
Version5.0
StatusDetected but not Quantified
Creation Date2014-10-08 15:54:52 UTC
Update Date2022-03-07 03:17:47 UTC
HMDB IDHMDB0061803
Secondary Accession Numbers
  • HMDB61803
Metabolite Identification
Common Namecis-3-Decene
Descriptioncis-3-Decene 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. cis-3-Decene is possibly neutral.
Structure
Data?1563866233
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0061803 (cis-3-Decene)


  Mrv0541 10081412302D          

 12 11  0  0  0  0            999 V2000
    1.2079   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
Download

3D MOL for HMDB0061803 (cis-3-Decene)

HMDB0061803
     RDKit          3D
cis-3-Decene
 30 29  0  0  0  0  0  0  0  0999 V2000
   -4.6496    0.2924   -0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4645   -0.3962   -0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604    0.4957    0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003    0.8142    0.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6666    0.3167   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5287   -0.4919   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4165    0.3428    0.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706   -0.4842    1.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3951   -0.9909    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8937    0.2221   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5173    0.3543   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9199   -0.2385   -1.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2797    1.3143   -1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9454   -1.2162    0.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8917   -0.8723   -1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    0.9035    1.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0361    1.5023    1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1665   -0.1576   -1.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1645    1.2286   -1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1135   -0.7078   -1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -1.3922    0.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8003    0.6432    1.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448    1.2158    0.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206   -1.3219    1.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2076    0.1564    1.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759   -1.6305   -0.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3062   -1.5249    0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0630    1.0959    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8747   -0.0194   -1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    0.5462   -1.3802 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  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
  9 27  1  0
 10 28  1  0
 10 29  1  0
 10 30  1  0
M  END
Download

3D SDF for HMDB0061803 (cis-3-Decene)


  Mrv0541 10081412302D          

 12 11  0  0  0  0            999 V2000
    1.2079   -1.0461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3645    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -0.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6500    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224    0.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9355    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9224    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2211    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2079    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4934    1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368   -0.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6368    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  7  5  2  0  0  0  0
  8  6  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  5  1  0  0  0  0
 12  7  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0061803

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]\C(CC)=C(/[H])CCCCCC

> <INCHI_IDENTIFIER>
InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-

> <INCHI_KEY>
GVRWIAHBVAYKIZ-ALCCZGGFSA-N

> <FORMULA>
C10H20

> <MOLECULAR_WEIGHT>
140.2658

> <EXACT_MASS>
140.15650064

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
30

> <JCHEM_AVERAGE_POLARIZABILITY>
19.445952362456197

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3Z)-dec-3-ene

> <ALOGPS_LOGP>
5.50

> <JCHEM_LOGP>
4.547490896

> <ALOGPS_LOGS>
-4.85

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
48.928799999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.97e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3Z)-dec-3-ene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0061803 (cis-3-Decene)

HMDB0061803
     RDKit          3D
cis-3-Decene
 30 29  0  0  0  0  0  0  0  0999 V2000
   -4.6496    0.2924   -0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4645   -0.3962   -0.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7604    0.4957    0.6726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003    0.8142    0.5296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6666    0.3167   -0.5572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5287   -0.4919   -0.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4165    0.3428    0.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5706   -0.4842    1.3162 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3951   -0.9909    0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8937    0.2221   -0.6031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5173    0.3543   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9199   -0.2385   -1.8576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2797    1.3143   -1.2065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9454   -1.2162    0.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8917   -0.8723   -1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3625    0.9035    1.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0361    1.5023    1.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1665   -0.1576   -1.4088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1645    1.2286   -1.0399 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1135   -0.7078   -1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2540   -1.3922    0.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8003    0.6432    1.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7448    1.2158    0.2254 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206   -1.3219    1.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2076    0.1564    1.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7759   -1.6305   -0.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3062   -1.5249    0.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0630    1.0959    0.0756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8747   -0.0194   -1.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    0.5462   -1.3802 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  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  7 22  1  0
  7 23  1  0
  8 24  1  0
  8 25  1  0
  9 26  1  0
  9 27  1  0
 10 28  1  0
 10 29  1  0
 10 30  1  0
M  END
Download

PDB for HMDB0061803 (cis-3-Decene)

HEADER    PROTEIN                                 08-OCT-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   08-OCT-14         0                                  
HETATM    1  C   UNK     0       2.255  -1.953   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.414   1.897   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.255  -0.413   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.080   2.667   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.588   0.357   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.746   1.897   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       3.588   1.897   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.413   2.667   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.255   2.667   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.921   1.897   0.000  0.00  0.00           C+0
HETATM   11  H   UNK     0       4.922  -0.413   0.000  0.00  0.00           H+0
HETATM   12  H   UNK     0       4.922   2.667   0.000  0.00  0.00           H+0
CONECT    1    3                                                            
CONECT    2    4                                                            
CONECT    3    1    5                                                       
CONECT    4    2    6                                                       
CONECT    5    3    7   11                                                  
CONECT    6    4    8                                                       
CONECT    7    5    9   12                                                  
CONECT    8    6   10                                                       
CONECT    9    7   10                                                       
CONECT   10    8    9                                                       
CONECT   11    5                                                            
CONECT   12    7                                                            
MASTER        0    0    0    0    0    0    0    0   12    0   22    0
END
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3D PDB for HMDB0061803 (cis-3-Decene)

COMPND    HMDB0061803
HETATM    1  C1  UNL     1      -4.650   0.292  -0.922  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.465  -0.396  -0.245  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.760   0.496   0.673  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.500   0.814   0.530  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.667   0.317  -0.557  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.529  -0.492  -0.062  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.416   0.343   0.826  1.00  0.00           C  
HETATM    8  C8  UNL     1       2.571  -0.484   1.316  1.00  0.00           C  
HETATM    9  C9  UNL     1       3.395  -0.991   0.161  1.00  0.00           C  
HETATM   10  C10 UNL     1       3.894   0.222  -0.603  1.00  0.00           C  
HETATM   11  H1  UNL     1      -5.517   0.354  -0.261  1.00  0.00           H  
HETATM   12  H2  UNL     1      -4.920  -0.238  -1.858  1.00  0.00           H  
HETATM   13  H3  UNL     1      -4.280   1.314  -1.206  1.00  0.00           H  
HETATM   14  H4  UNL     1      -3.945  -1.216   0.360  1.00  0.00           H  
HETATM   15  H5  UNL     1      -2.892  -0.872  -1.018  1.00  0.00           H  
HETATM   16  H6  UNL     1      -3.363   0.904   1.524  1.00  0.00           H  
HETATM   17  H7  UNL     1      -1.036   1.502   1.275  1.00  0.00           H  
HETATM   18  H8  UNL     1      -1.167  -0.158  -1.409  1.00  0.00           H  
HETATM   19  H9  UNL     1      -0.164   1.229  -1.040  1.00  0.00           H  
HETATM   20  H10 UNL     1       1.114  -0.708  -1.003  1.00  0.00           H  
HETATM   21  H11 UNL     1       0.254  -1.392   0.489  1.00  0.00           H  
HETATM   22  H12 UNL     1       0.800   0.643   1.700  1.00  0.00           H  
HETATM   23  H13 UNL     1       1.745   1.216   0.225  1.00  0.00           H  
HETATM   24  H14 UNL     1       2.221  -1.322   1.974  1.00  0.00           H  
HETATM   25  H15 UNL     1       3.208   0.156   1.993  1.00  0.00           H  
HETATM   26  H16 UNL     1       2.776  -1.630  -0.477  1.00  0.00           H  
HETATM   27  H17 UNL     1       4.306  -1.525   0.530  1.00  0.00           H  
HETATM   28  H18 UNL     1       4.063   1.096   0.076  1.00  0.00           H  
HETATM   29  H19 UNL     1       4.875  -0.019  -1.049  1.00  0.00           H  
HETATM   30  H20 UNL     1       3.160   0.546  -1.380  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3   14   15
CONECT    3    4    4   16
CONECT    4    5   17
CONECT    5    6   18   19
CONECT    6    7   20   21
CONECT    7    8   22   23
CONECT    8    9   24   25
CONECT    9   10   26   27
CONECT   10   28   29   30
END
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SMILES for HMDB0061803 (cis-3-Decene)

[H]\C(CC)=C(/[H])CCCCCC
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INCHI for HMDB0061803 (cis-3-Decene)

InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC10H20
Average Molecular Weight140.2658
Monoisotopic Molecular Weight140.15650064
IUPAC Name(3Z)-dec-3-ene
Traditional Name(3Z)-dec-3-ene
CAS Registry NumberNot Available
SMILES
[H]\C(CC)=C(/[H])CCCCCC
InChI Identifier
InChI=1S/C10H20/c1-3-5-7-9-10-8-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
InChI KeyGVRWIAHBVAYKIZ-ALCCZGGFSA-N
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.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassUnsaturated hydrocarbons
Sub ClassUnsaturated aliphatic hydrocarbons
Direct ParentUnsaturated aliphatic hydrocarbons
Alternative Parents
Substituents
  • Unsaturated aliphatic hydrocarbon
  • Olefin
  • Alkene
  • Acyclic olefin
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.002 g/LALOGPS
logP5.5ALOGPS
logP4.55ChemAxon
logS-4.8ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity48.93 m³·mol⁻¹ChemAxon
Polarizability19.45 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]+135.74131661259
DarkChem[M-H]-133.26531661259
DeepCCS[M+H]+143.14230932474
DeepCCS[M-H]-140.74630932474
DeepCCS[M-2H]-175.7530932474
DeepCCS[M+Na]+150.26930932474
AllCCS[M+H]+138.132859911
AllCCS[M+H-H2O]+134.032859911
AllCCS[M+NH4]+142.032859911
AllCCS[M+Na]+143.132859911
AllCCS[M-H]-142.832859911
AllCCS[M+Na-2H]-145.232859911
AllCCS[M+HCOO]-147.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
cis-3-Decene[H]\C(CC)=C(/[H])CCCCCC1146.2Standard polar33892256
cis-3-Decene[H]\C(CC)=C(/[H])CCCCCC1002.1Standard non polar33892256
cis-3-Decene[H]\C(CC)=C(/[H])CCCCCC993.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - cis-3-Decene GC-MS (Non-derivatized) - 70eV, Positivesplash10-006x-9200000000-030de789b5aaee4d38b82017-09-20Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - cis-3-Decene 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 - cis-3-Decene 10V, Positive-QTOFsplash10-0006-0900000000-ca505f4695e85ad975b62017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-3-Decene 20V, Positive-QTOFsplash10-0006-5900000000-9980ebb84d3ecde3d1df2017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-3-Decene 40V, Positive-QTOFsplash10-052f-9000000000-14d2cf60d1a1449451122017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-3-Decene 10V, Negative-QTOFsplash10-000i-0900000000-5149317e608c9def33f02017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-3-Decene 20V, Negative-QTOFsplash10-000i-0900000000-f555b8a0cab2db8c88f42017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-3-Decene 40V, Negative-QTOFsplash10-000i-9500000000-0e502ae16be6f65cc8662017-10-06Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-3-Decene 10V, Positive-QTOFsplash10-05fu-9000000000-e2ff78c358d21ff9db552021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-3-Decene 20V, Positive-QTOFsplash10-0abc-9000000000-fb930ef23c55a98eb9db2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-3-Decene 40V, Positive-QTOFsplash10-052f-9000000000-6630a5fbce2415bc4d992021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-3-Decene 10V, Negative-QTOFsplash10-000i-0900000000-61228056f9f6f21ecfb62021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-3-Decene 20V, Negative-QTOFsplash10-000i-0900000000-43ad2932a59a291655372021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - cis-3-Decene 40V, Negative-QTOFsplash10-0gb9-9200000000-a06b74b63db6689c51282021-09-23Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Saliva
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
SalivaDetected but not QuantifiedNot QuantifiedAdult (>18 years old)Not SpecifiedNormal details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5362723
PDB IDNot Available
ChEBI ID88552
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Lindstedt S, Norberg K, Steen G, Wahl E: Structure of some aliphatic dicarboxylic acids found in the urine of an infant with congenital lactic acidosis. Clin Chem. 1976 Aug;22(8):1330-8. [PubMed:181179 ]
  2. Tanaka K: On the mode of action of hypoglycin A. 3. Isolation and identification of cis-4-decene-1,10-dioic, cis, cis-4,7-decadiene-1,10-dioic, cis-4-octene-1,8-dioic, glutaric, and adipic acids, N-(methylenecyclopropyl)acetylglycine, and N-isovalerylglycine from urine of hypoglycin A-treated rats. J Biol Chem. 1972 Dec 10;247(23):7465-78. [PubMed:4636318 ]
  3. Shine HJ, Zhao B, Qian DQ, Marx JN, Guzman-Jimenez IY, Thurston JH, Ould-Ely T, Whitmire KH: Adducts of phenoxathiin and thianthrene cation radicals with alkenes and cycloalkenes. J Org Chem. 2003 Nov 14;68(23):8910-7. [PubMed:14604362 ]
  4. Pryadun R, Sukumaran D, Bogadi R, Atwood JD: Amine attack on coordinated alkenes: an interconversion from anti-Markovnikoff to Markovnikoff products. J Am Chem Soc. 2004 Oct 6;126(39):12414-20. [PubMed:15453775 ]
  5. Zhao BJ, Shine HJ, Marx JN, Hofmann C, Whitmire KH: Addition of the phenoxathiin cation radical to alkenes and nonconjugated dienes. Formation of (E)- and (Z)-(10-phenoxathiiniumyl)alkenes and (E)- and (Z)-(10-phenoxathiiniumyl)dienes on basic alumina. J Org Chem. 2007 Aug 3;72(16):6154-61. Epub 2007 Jun 29. [PubMed:17602534 ]
  6. Li Y, He J, Khankhoje V, Herdtweck E, Kohler K, Storcheva O, Cokoja M, Kuhn FE: Copper(II) complexes incorporating poly/perfluorinated alkoxyaluminate-type weakly coordinating anions: syntheses, characterization and catalytic application in stereoselective olefin aziridination. Dalton Trans. 2011 Jun 7;40(21):5746-54. doi: 10.1039/c1dt10280j. Epub 2011 Apr 26. [PubMed:21523276 ]
  7. Silva AS, Jacques RJ, Andreazza R, Bento FM, Roesch LF, Camargo FA: Properties of catechol 1,2-dioxygenase in the cell free extract and immobilized extract of Mycobacterium fortuitum. Braz J Microbiol. 2013 May 31;44(1):291-7. doi: 10.1590/S1517-83822013000100043. eCollection 2013. [PubMed:24159319 ]