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Showing metabocard for (2E,4Z)-2,4-nonadienal (HMDB0303871)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2021-09-24 05:16:58 UTC
Update Date2021-09-24 05:16:58 UTC
HMDB IDHMDB0303871
Secondary Accession NumbersNone
Metabolite Identification
Common Name(2E,4Z)-2,4-nonadienal
Description(2E,4Z)-nona-2,4-dienal belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms. Based on a literature review very few articles have been published on (2E,4Z)-nona-2,4-dienal.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0303871 ((2E,4Z)-2,4-nonadienal)


  Mrv1533007151515382D          

 14 13  0  0  0  0            999 V2000
    4.5375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    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
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
Download

3D MOL for HMDB0303871 ((2E,4Z)-2,4-nonadienal)

HMDB0303871
     RDKit          3D
(2E,4Z)-2,4-nonadienal
 24 23  0  0  0  0  0  0  0  0999 V2000
    2.2075    1.4985    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8866    0.1597    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943   -0.9040    0.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7122   -0.7773   -0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3230   -1.7692   -0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5481   -1.4659    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9778   -0.0955    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2390    0.2047    0.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724    1.5998    0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8597    1.8687    1.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    1.4132    1.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9381    2.2884    0.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7601    1.8692   -0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8038    0.1238    0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    0.0336   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5364   -0.7740    1.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3807   -1.8851    0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910   -1.0229   -1.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4436    0.2626   -0.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0352   -2.8375   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2953   -2.2824    0.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3176    0.7184    0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9117   -0.6119    0.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9512    2.3851    0.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  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
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
M  END
Download

3D SDF for HMDB0303871 ((2E,4Z)-2,4-nonadienal)


  Mrv1533007151515382D          

 14 13  0  0  0  0            999 V2000
    4.5375   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    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
   -0.4125   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2375   -0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  1  0  0  0  0
 14  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0303871

> <DATABASE_NAME>
hmdb

> <SMILES>
[H]\C(CCCC)=C(/[H])\C(\[H])=C(/[H])C=O

> <INCHI_IDENTIFIER>
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5-,8-7+

> <INCHI_KEY>
ZHHYXNZJDGDGPJ-IGTJQSIKSA-N

> <FORMULA>
C9H14O

> <MOLECULAR_WEIGHT>
138.21

> <EXACT_MASS>
138.104465071

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
24

> <JCHEM_AVERAGE_POLARIZABILITY>
17.08172847176344

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E,4Z)-nona-2,4-dienal

> <ALOGPS_LOGP>
3.26

> <JCHEM_LOGP>
2.6218877033333334

> <ALOGPS_LOGS>
-3.06

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.136440704738474

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
46.1611

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.21e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E,4Z)-nona-2,4-dienal

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0303871 ((2E,4Z)-2,4-nonadienal)

HMDB0303871
     RDKit          3D
(2E,4Z)-2,4-nonadienal
 24 23  0  0  0  0  0  0  0  0999 V2000
    2.2075    1.4985    0.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8866    0.1597    0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8943   -0.9040    0.5032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7122   -0.7773   -0.4522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3230   -1.7692   -0.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5481   -1.4659    0.1371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9778   -0.0955    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2390    0.2047    0.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6724    1.5998    0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8597    1.8687    1.0273 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    1.4132    1.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9381    2.2884    0.6007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7601    1.8692   -0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8038    0.1238    0.7331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179    0.0336   -0.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5364   -0.7740    1.5399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3807   -1.8851    0.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0910   -1.0229   -1.4996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4436    0.2626   -0.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0352   -2.8375   -0.2691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2953   -2.2824    0.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3176    0.7184    0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9117   -0.6119    0.7619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9512    2.3851    0.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  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
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
M  END
Download

PDB for HMDB0303871 ((2E,4Z)-2,4-nonadienal)

HEADER    PROTEIN                                 15-JUL-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-JUL-15         0                                  
HETATM    1  C   UNK     0       8.470  -1.334   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.930  -1.334   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.160   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.620   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.850   1.334   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       0.000  -2.667   0.000  0.00  0.00           O+0
HETATM   11  H   UNK     0       4.620   2.667   0.000  0.00  0.00           H+0
HETATM   12  H   UNK     0       1.540   2.667   0.000  0.00  0.00           H+0
HETATM   13  H   UNK     0       2.310  -1.334   0.000  0.00  0.00           H+0
HETATM   14  H   UNK     0      -0.770   1.334   0.000  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6   11                                                  
CONECT    6    5    7   12                                                  
CONECT    7    6    8   13                                                  
CONECT    8    7    9   14                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    5                                                            
CONECT   12    6                                                            
CONECT   13    7                                                            
CONECT   14    8                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END
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3D PDB for HMDB0303871 ((2E,4Z)-2,4-nonadienal)

COMPND    HMDB0303871
HETATM    1  C1  UNL     1       2.207   1.499   0.283  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.887   0.160   0.136  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.894  -0.904   0.503  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.712  -0.777  -0.452  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.323  -1.769  -0.187  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.548  -1.466   0.137  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.978  -0.095   0.259  1.00  0.00           C  
HETATM    8  C8  UNL     1      -3.239   0.205   0.591  1.00  0.00           C  
HETATM    9  C9  UNL     1      -3.672   1.600   0.715  1.00  0.00           C  
HETATM   10  O1  UNL     1      -4.860   1.869   1.027  1.00  0.00           O  
HETATM   11  H1  UNL     1       1.359   1.413   1.012  1.00  0.00           H  
HETATM   12  H2  UNL     1       2.938   2.288   0.601  1.00  0.00           H  
HETATM   13  H3  UNL     1       1.760   1.869  -0.655  1.00  0.00           H  
HETATM   14  H4  UNL     1       3.804   0.124   0.733  1.00  0.00           H  
HETATM   15  H5  UNL     1       3.118   0.034  -0.953  1.00  0.00           H  
HETATM   16  H6  UNL     1       1.536  -0.774   1.540  1.00  0.00           H  
HETATM   17  H7  UNL     1       2.381  -1.885   0.444  1.00  0.00           H  
HETATM   18  H8  UNL     1       1.091  -1.023  -1.500  1.00  0.00           H  
HETATM   19  H9  UNL     1       0.444   0.263  -0.487  1.00  0.00           H  
HETATM   20  H10 UNL     1      -0.035  -2.838  -0.269  1.00  0.00           H  
HETATM   21  H11 UNL     1      -2.295  -2.282   0.328  1.00  0.00           H  
HETATM   22  H12 UNL     1      -1.318   0.718   0.093  1.00  0.00           H  
HETATM   23  H13 UNL     1      -3.912  -0.612   0.762  1.00  0.00           H  
HETATM   24  H14 UNL     1      -2.951   2.385   0.531  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3   14   15
CONECT    3    4   16   17
CONECT    4    5   18   19
CONECT    5    6    6   20
CONECT    6    7   21
CONECT    7    8    8   22
CONECT    8    9   23
CONECT    9   10   10   24
END
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SMILES for HMDB0303871 ((2E,4Z)-2,4-nonadienal)

[H]\C(CCCC)=C(/[H])\C(\[H])=C(/[H])C=O
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INCHI for HMDB0303871 ((2E,4Z)-2,4-nonadienal)

InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5-,8-7+
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC9H14O
Average Molecular Weight138.21
Monoisotopic Molecular Weight138.104465071
IUPAC Name(2E,4Z)-nona-2,4-dienal
Traditional Name(2E,4Z)-nona-2,4-dienal
CAS Registry NumberNot Available
SMILES
[H]\C(CCCC)=C(/[H])\C(\[H])=C(/[H])C=O
InChI Identifier
InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h5-9H,2-4H2,1H3/b6-5-,8-7+
InChI KeyZHHYXNZJDGDGPJ-IGTJQSIKSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as medium-chain aldehydes. These are an aldehyde with a chain length containing between 6 and 12 carbon atoms.
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassCarbonyl compounds
Direct ParentMedium-chain aldehydes
Alternative Parents
Substituents
  • Medium-chain aldehyde
  • Enal
  • Alpha,beta-unsaturated aldehyde
  • Organic oxide
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
Physiological effect
Organoleptic effect
DispositionNot Available
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
logP3.26ALOGPS
logP2.62ChemAxon
logS-3.1ALOGPS
pKa (Strongest Basic)-4.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity46.16 m³·mol⁻¹ChemAxon
Polarizability17.08 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
AllCCS[M+H]+133.31632859911
AllCCS[M+H-H2O]+129.12632859911
AllCCS[M+Na]+138.34832859911
AllCCS[M+NH4]+137.22232859911
AllCCS[M-H]-136.36732859911
AllCCS[M+Na-2H]-138.58832859911
AllCCS[M+HCOO]-141.09432859911
DeepCCS[M+H]+150.46330932474
DeepCCS[M-H]-148.10530932474
DeepCCS[M-2H]-181.74430932474
DeepCCS[M+Na]+157.81830932474

Predicted Kovats Retention Indices

Not Available
Spectra

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2E,4Z)-2,4-nonadienal 10V, Positive-QTOFsplash10-000i-0900000000-d145aaf02649df25750b2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2E,4Z)-2,4-nonadienal 20V, Positive-QTOFsplash10-00ri-9600000000-0574920e3aeabc4828342019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2E,4Z)-2,4-nonadienal 40V, Positive-QTOFsplash10-0k9f-9000000000-81f206d24b98b4dd779c2019-02-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2E,4Z)-2,4-nonadienal 10V, Negative-QTOFsplash10-000i-0900000000-2b7ab51bcf39abd9ea772019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2E,4Z)-2,4-nonadienal 20V, Negative-QTOFsplash10-052r-0900000000-96302fe94bf3076123b72019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2E,4Z)-2,4-nonadienal 40V, Negative-QTOFsplash10-00kf-9400000000-bbe53838f97932a47c2f2019-02-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2E,4Z)-2,4-nonadienal 10V, Positive-QTOFsplash10-05r3-9100000000-9ee7276a05af727932762021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2E,4Z)-2,4-nonadienal 20V, Positive-QTOFsplash10-00ou-9000000000-879b15bc98c6a40865972021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2E,4Z)-2,4-nonadienal 40V, Positive-QTOFsplash10-016r-9000000000-3d1770cc023d735ee99b2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2E,4Z)-2,4-nonadienal 10V, Negative-QTOFsplash10-000i-1900000000-ad751ec686b7f5b7a3fa2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2E,4Z)-2,4-nonadienal 20V, Negative-QTOFsplash10-0a4i-4900000000-da5b89303c022087988a2021-10-21Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (2E,4Z)-2,4-nonadienal 40V, Negative-QTOFsplash10-014i-9000000000-0059f337b6ba2d1fd38e2021-10-21Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
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 IDFDB029702
KNApSAcK IDNot Available
Chemspider ID4934659
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound6429282
PDB IDNot Available
ChEBI IDNot Available
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 ReferencesNot Available