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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 21:15:18 UTC

Update Date

2023-02-21 17:25:14 UTC

HMDB ID

HMDB0036196

Secondary Accession Numbers

HMDB36196

Metabolite Identification

Common Name

(2E,4E)-2,4-Decadien-1-ol

Description

(2E,4E)-2,4-Decadien-1-ol belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, (2E,4E)-2,4-decadien-1-ol is considered to be a fatty alcohol. Based on a literature review a small amount of articles have been published on (2E,4E)-2,4-Decadien-1-ol.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0036196
     RDKit          3D
(2E,4E)-2,4-Decadien-1-ol
 29 28  0  0  0  0  0  0  0  0999 V2000
   -4.3135   -1.3758    0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5381   -0.6676   -0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4205    0.1952    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7365    0.8383   -1.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5981    1.7304   -0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3938    0.9019    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.8171   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.0005    0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301   -0.1224   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7755   -0.9629    0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282   -0.1203    1.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3720   -1.4775    0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3881   -0.7831    1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9785   -2.4063    0.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2052   -0.0305   -1.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0293   -1.4530   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8308    1.0240    0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7261   -0.3736    0.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768    0.0209   -1.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321    1.4613   -1.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331    2.2573   -1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9773    2.4996    0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1484    0.3687    1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9178    1.3424   -1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3169   -0.5235    1.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1767    0.3709   -0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2735   -1.3738    1.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1385   -1.8136    0.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    0.5160    0.3530 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
M  END

HMDB0036196
     RDKit          3D
(2E,4E)-2,4-Decadien-1-ol
 29 28  0  0  0  0  0  0  0  0999 V2000
   -4.3135   -1.3758    0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5381   -0.6676   -0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4205    0.1952    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7365    0.8383   -1.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5981    1.7304   -0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3938    0.9019    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.8171   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.0005    0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301   -0.1224   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7755   -0.9629    0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282   -0.1203    1.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3720   -1.4775    0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3881   -0.7831    1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9785   -2.4063    0.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2052   -0.0305   -1.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0293   -1.4530   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8308    1.0240    0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7261   -0.3736    0.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768    0.0209   -1.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321    1.4613   -1.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331    2.2573   -1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9773    2.4996    0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1484    0.3687    1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9178    1.3424   -1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3169   -0.5235    1.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1767    0.3709   -0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2735   -1.3738    1.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1385   -1.8136    0.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    0.5160    0.3530 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
M  END

COMPND    HMDB0036196
HETATM    1  C1  UNL     1      -4.314  -1.376   0.648  1.00  0.00           C  
HETATM    2  C2  UNL     1      -3.538  -0.668  -0.415  1.00  0.00           C  
HETATM    3  C3  UNL     1      -2.420   0.195   0.138  1.00  0.00           C  
HETATM    4  C4  UNL     1      -1.736   0.838  -1.041  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.598   1.730  -0.625  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.394   0.902   0.106  1.00  0.00           C  
HETATM    7  C7  UNL     1       1.620   0.817  -0.371  1.00  0.00           C  
HETATM    8  C8  UNL     1       2.587   0.001   0.354  1.00  0.00           C  
HETATM    9  C9  UNL     1       3.830  -0.122  -0.075  1.00  0.00           C  
HETATM   10  C10 UNL     1       4.776  -0.963   0.697  1.00  0.00           C  
HETATM   11  O1  UNL     1       5.828  -0.120   1.093  1.00  0.00           O  
HETATM   12  H1  UNL     1      -5.372  -1.477   0.268  1.00  0.00           H  
HETATM   13  H2  UNL     1      -4.388  -0.783   1.592  1.00  0.00           H  
HETATM   14  H3  UNL     1      -3.979  -2.406   0.848  1.00  0.00           H  
HETATM   15  H4  UNL     1      -4.205  -0.030  -1.008  1.00  0.00           H  
HETATM   16  H5  UNL     1      -3.029  -1.453  -1.041  1.00  0.00           H  
HETATM   17  H6  UNL     1      -2.831   1.024   0.760  1.00  0.00           H  
HETATM   18  H7  UNL     1      -1.726  -0.374   0.767  1.00  0.00           H  
HETATM   19  H8  UNL     1      -1.377   0.021  -1.714  1.00  0.00           H  
HETATM   20  H9  UNL     1      -2.432   1.461  -1.638  1.00  0.00           H  
HETATM   21  H10 UNL     1      -0.133   2.257  -1.467  1.00  0.00           H  
HETATM   22  H11 UNL     1      -0.977   2.500   0.077  1.00  0.00           H  
HETATM   23  H12 UNL     1       0.148   0.369   1.013  1.00  0.00           H  
HETATM   24  H13 UNL     1       1.918   1.342  -1.290  1.00  0.00           H  
HETATM   25  H14 UNL     1       2.317  -0.524   1.258  1.00  0.00           H  
HETATM   26  H15 UNL     1       4.177   0.371  -0.970  1.00  0.00           H  
HETATM   27  H16 UNL     1       4.273  -1.374   1.590  1.00  0.00           H  
HETATM   28  H17 UNL     1       5.139  -1.814   0.092  1.00  0.00           H  
HETATM   29  H18 UNL     1       6.049   0.516   0.353  1.00  0.00           H  
CONECT    1    2   12   13   14
CONECT    2    3   15   16
CONECT    3    4   17   18
CONECT    4    5   19   20
CONECT    5    6   21   22
CONECT    6    7    7   23
CONECT    7    8   24
CONECT    8    9    9   25
CONECT    9   10   26
CONECT   10   11   27   28
CONECT   11   29
END

HMDB0036196
     RDKit          3D
(2E,4E)-2,4-Decadien-1-ol
 29 28  0  0  0  0  0  0  0  0999 V2000
   -4.3135   -1.3758    0.6484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5381   -0.6676   -0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4205    0.1952    0.1385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7365    0.8383   -1.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5981    1.7304   -0.6249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3938    0.9019    0.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6204    0.8171   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5875    0.0005    0.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301   -0.1224   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7755   -0.9629    0.6968 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8282   -0.1203    1.0935 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3720   -1.4775    0.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3881   -0.7831    1.5916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9785   -2.4063    0.8477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2052   -0.0305   -1.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0293   -1.4530   -1.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8308    1.0240    0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7261   -0.3736    0.7667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768    0.0209   -1.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4321    1.4613   -1.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1331    2.2573   -1.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9773    2.4996    0.0769 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1484    0.3687    1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9178    1.3424   -1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3169   -0.5235    1.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1767    0.3709   -0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2735   -1.3738    1.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1385   -1.8136    0.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0487    0.5160    0.3530 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  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  2 15  1  0
  2 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  4 20  1  0
  5 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  9 26  1  0
 10 27  1  0
 10 28  1  0
 11 29  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
(e,e)-2,4-Decadien-1-ol	HMDB
(e,e)-2,4-Decadienol	HMDB
FEMA 3911	HMDB
trans,trans-2,4-Decadienol	HMDB
trans-2,4-Decadienol	HMDB
trans-2-trans-4-Decadienol	HMDB

Chemical Formula

C₁₀H₁₈O

Average Molecular Weight

154.2493

Monoisotopic Molecular Weight

154.135765198

IUPAC Name

(2E,4E)-deca-2,4-dien-1-ol

Traditional Name

(2E,4E)-deca-2,4-dien-1-ol

CAS Registry Number

18409-21-7

SMILES

CCCCC\C=C\C=C\CO

InChI Identifier

InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-9,11H,2-5,10H2,1H3/b7-6+,9-8+

InChI Key

NUBWFSDCZULDCI-BLHCBFLLSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty alcohols

Direct Parent

Fatty alcohols

Alternative Parents

Substituents

Fatty alcohol
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Ontology

Cellular substructure

Excreta

Biofluid or Excreta

Urine (HMDB: HMDB0036196)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0036196)

Source

Endogenous

Endogenous (HMDB: HMDB0036196)

Animal

Animal (HMDB: HMDB0036196)

Exogenous

Food

Food (HMDB: HMDB0036196)

Vegetable

Shoot vegetable

Asparagus (FooDB: FOOD00021)

Fruit

Fruits (FooDB: FOOD00871)

Process

Naturally occurring process

Biological process

Chemical reaction

Lipid Peroxidation (HMDB: HMDB0036196)

Biochemical pathway

Metabolic pathway

Fatty Acid Metabolism (HMDB: HMDB0036196)

Lipid metabolism pathway (HMDB: HMDB0036196)

Cellular process

Cell signaling (HMDB: HMDB0036196)

Biochemical process

Lipid transport (HMDB: HMDB0036196)

Role

Biological role

Energy source (HMDB: HMDB0036196)

Industrial application

Manufacturing industry

Material processing agent

Fluid processing agent

Surfactant

Surfactant (HMDB: HMDB0036196)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	112.00 °C. @ 10.00 mm Hg	The Good Scents Company Information System
Water Solubility	319.1 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	3.362 (est)	The Good Scents Company Information System

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.14 g/L	ALOGPS
logP	3.81	ALOGPS
logP	2.9	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	16.21	ChemAxon
pKa (Strongest Basic)	-2.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	51.82 m³·mol⁻¹	ChemAxon
Polarizability	20.12 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	141.023	31661259
DarkChem	[M-H]-	138.039	31661259
DeepCCS	[M+H]+	139.812	30932474
DeepCCS	[M-H]-	136.468	30932474
DeepCCS	[M-2H]-	173.827	30932474
DeepCCS	[M+Na]+	149.051	30932474
AllCCS	[M+H]+	138.2	32859911
AllCCS	[M+H-H2O]+	134.2	32859911
AllCCS	[M+NH4]+	142.0	32859911
AllCCS	[M+Na]+	143.1	32859911
AllCCS	[M-H]-	142.3	32859911
AllCCS	[M+Na-2H]-	144.3	32859911
AllCCS	[M+HCOO]-	146.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
(2E,4E)-2,4-Decadien-1-ol	CCCCC\C=C\C=C\CO	1956.4	Standard polar	33892256
(2E,4E)-2,4-Decadien-1-ol	CCCCC\C=C\C=C\CO	1266.2	Standard non polar	33892256
(2E,4E)-2,4-Decadien-1-ol	CCCCC\C=C\C=C\CO	1328.5	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
(2E,4E)-2,4-Decadien-1-ol,1TMS,isomer #1	CCCCC/C=C/C=C/CO[Si](C)(C)C	1441.1	Semi standard non polar	33892256
(2E,4E)-2,4-Decadien-1-ol,1TBDMS,isomer #1	CCCCC/C=C/C=C/CO[Si](C)(C)C(C)(C)C	1663.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - (2E,4E)-2,4-Decadien-1-ol GC-MS (Non-derivatized) - 70eV, Positive	splash10-056v-9300000000-e2ad5112398fcf5bf1dd	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2E,4E)-2,4-Decadien-1-ol GC-MS (1 TMS) - 70eV, Positive	splash10-05i9-9400000000-a8fccb58e43ca0b9211a	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - (2E,4E)-2,4-Decadien-1-ol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2E,4E)-2,4-Decadien-1-ol 10V, Positive-QTOF	splash10-052r-1900000000-187cbd0c981b9a6e36d1	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2E,4E)-2,4-Decadien-1-ol 20V, Positive-QTOF	splash10-000i-8900000000-d9cc91be573ee60bfc3c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2E,4E)-2,4-Decadien-1-ol 40V, Positive-QTOF	splash10-0k96-9000000000-23f977f08ed9a2fc41bf	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2E,4E)-2,4-Decadien-1-ol 10V, Negative-QTOF	splash10-0udi-0900000000-60fa949fd388e189e6fe	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2E,4E)-2,4-Decadien-1-ol 20V, Negative-QTOF	splash10-0udi-1900000000-f6f821bbe4cbe4b05ea9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2E,4E)-2,4-Decadien-1-ol 40V, Negative-QTOF	splash10-0006-9500000000-7447086822504aa52e68	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2E,4E)-2,4-Decadien-1-ol 10V, Negative-QTOF	splash10-0udi-0900000000-1d741a4c03ce285dc60a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2E,4E)-2,4-Decadien-1-ol 20V, Negative-QTOF	splash10-0udi-2900000000-e9792d4ec13eddc51f73	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2E,4E)-2,4-Decadien-1-ol 40V, Negative-QTOF	splash10-0gb9-9000000000-626ff482e03cf9d9a361	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2E,4E)-2,4-Decadien-1-ol 10V, Positive-QTOF	splash10-069u-9000000000-7f90890496c923685401	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2E,4E)-2,4-Decadien-1-ol 20V, Positive-QTOF	splash10-066r-9000000000-0090e71c91b6caf7c15a	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - (2E,4E)-2,4-Decadien-1-ol 40V, Positive-QTOF	splash10-05mo-9000000000-37d5e55ee0c27d85d9ea	2021-09-24	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-04	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-04	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB015051

KNApSAcK ID

Not Available

Chemspider ID

4515177

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5362696

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1615981

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.

Showing metabocard for (2E,4E)-2,4-Decadien-1-ol (HMDB0036196)

MOL for HMDB0036196 ((2E,4E)-2,4-Decadien-1-ol)

3D MOL for HMDB0036196 ((2E,4E)-2,4-Decadien-1-ol)

3D SDF for HMDB0036196 ((2E,4E)-2,4-Decadien-1-ol)

3D-SDF for HMDB0036196 ((2E,4E)-2,4-Decadien-1-ol)

PDB for HMDB0036196 ((2E,4E)-2,4-Decadien-1-ol)

3D PDB for HMDB0036196 ((2E,4E)-2,4-Decadien-1-ol)

SMILES for HMDB0036196 ((2E,4E)-2,4-Decadien-1-ol)

INCHI for HMDB0036196 ((2E,4E)-2,4-Decadien-1-ol)

Structure for HMDB0036196 ((2E,4E)-2,4-Decadien-1-ol)

3D Structure for HMDB0036196 ((2E,4E)-2,4-Decadien-1-ol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

IR Spectra