MiMeDB: Showing metabocard for 2-Nonanol (MMDBc0047645)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 15:35:43 UTC

Update Date

2024-04-30 20:28:24 UTC

Metabolite ID

MMDBc0047645

Metabolite Identification

Common Name

2-Nonanol

Description

2-Nonanol, also known as 2-hydroxynonane or 2-nonyl alcohol, 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. 2-Nonanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, 2-nonanol is considered to be a fatty alcohol lipid molecule.

Structure

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

HMDB0033916
     RDKit          3D
2-Nonanol
 30 29  0  0  0  0  0  0  0  0999 V2000
    4.1589    0.6992   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4471   -0.4093   -0.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1255   -0.6470   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2635    0.5694   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0539    0.3614    0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8433   -0.7292   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1720   -0.9769    0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735    0.2104    0.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4133    0.7319   -0.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2718   -0.1687    1.1557 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553    0.6733   -0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233    1.6581   -0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9513    0.5469    0.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0711   -1.2993   -0.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832   -0.0993   -1.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6482   -1.4977   -0.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -1.0216    0.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279    0.8996   -1.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212    1.3814    0.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6146    1.3170    0.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1685    0.0915    1.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2412   -1.6736    0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8979   -0.5463   -1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6762   -1.7804   -0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0315   -1.3331    1.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6777    1.0600    1.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2737    1.4496   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5567    1.3116   -1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7786   -0.0484   -1.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8311   -0.7307    0.5406 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  1  0
  7  8  1  0
  8  9  1  0
  8 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
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  6 23  1  0
  7 24  1  0
  7 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
M  END

HMDB0033916
     RDKit          3D
2-Nonanol
 30 29  0  0  0  0  0  0  0  0999 V2000
    4.1589    0.6992   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4471   -0.4093   -0.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1255   -0.6470   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2635    0.5694   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0539    0.3614    0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8433   -0.7292   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1720   -0.9769    0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735    0.2104    0.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4133    0.7319   -0.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2718   -0.1687    1.1557 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553    0.6733   -0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233    1.6581   -0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9513    0.5469    0.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0711   -1.2993   -0.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832   -0.0993   -1.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6482   -1.4977   -0.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -1.0216    0.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279    0.8996   -1.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212    1.3814    0.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6146    1.3170    0.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1685    0.0915    1.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2412   -1.6736    0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8979   -0.5463   -1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6762   -1.7804   -0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0315   -1.3331    1.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6777    1.0600    1.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2737    1.4496   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5567    1.3116   -1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7786   -0.0484   -1.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8311   -0.7307    0.5406 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  1  0
  7  8  1  0
  8  9  1  0
  8 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
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  6 23  1  0
  7 24  1  0
  7 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
M  END

COMPND    HMDB0033916
HETATM    1  C1  UNL     1       4.159   0.699  -0.099  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.447  -0.409  -0.849  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.126  -0.647  -0.144  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.263   0.569  -0.130  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.054   0.361   0.566  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.843  -0.729  -0.120  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.172  -0.977   0.533  1.00  0.00           C  
HETATM    8  C8  UNL     1      -3.073   0.210   0.551  1.00  0.00           C  
HETATM    9  C9  UNL     1      -3.413   0.732  -0.819  1.00  0.00           C  
HETATM   10  O1  UNL     1      -4.272  -0.169   1.156  1.00  0.00           O  
HETATM   11  H1  UNL     1       5.255   0.673  -0.250  1.00  0.00           H  
HETATM   12  H2  UNL     1       3.723   1.658  -0.484  1.00  0.00           H  
HETATM   13  H3  UNL     1       3.951   0.547   0.974  1.00  0.00           H  
HETATM   14  H4  UNL     1       4.071  -1.299  -0.841  1.00  0.00           H  
HETATM   15  H5  UNL     1       3.283  -0.099  -1.914  1.00  0.00           H  
HETATM   16  H6  UNL     1       1.648  -1.498  -0.704  1.00  0.00           H  
HETATM   17  H7  UNL     1       2.362  -1.022   0.869  1.00  0.00           H  
HETATM   18  H8  UNL     1       1.128   0.900  -1.191  1.00  0.00           H  
HETATM   19  H9  UNL     1       1.821   1.381   0.366  1.00  0.00           H  
HETATM   20  H10 UNL     1      -0.615   1.317   0.610  1.00  0.00           H  
HETATM   21  H11 UNL     1       0.168   0.092   1.617  1.00  0.00           H  
HETATM   22  H12 UNL     1      -0.241  -1.674   0.022  1.00  0.00           H  
HETATM   23  H13 UNL     1      -0.898  -0.546  -1.192  1.00  0.00           H  
HETATM   24  H14 UNL     1      -2.676  -1.780  -0.042  1.00  0.00           H  
HETATM   25  H15 UNL     1      -2.031  -1.333   1.559  1.00  0.00           H  
HETATM   26  H16 UNL     1      -2.678   1.060   1.137  1.00  0.00           H  
HETATM   27  H17 UNL     1      -4.274   1.450  -0.678  1.00  0.00           H  
HETATM   28  H18 UNL     1      -2.557   1.312  -1.193  1.00  0.00           H  
HETATM   29  H19 UNL     1      -3.779  -0.048  -1.487  1.00  0.00           H  
HETATM   30  H20 UNL     1      -4.831  -0.731   0.541  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   20   21
CONECT    6    7   22   23
CONECT    7    8   24   25
CONECT    8    9   10   26
CONECT    9   27   28   29
CONECT   10   30
END

HMDB0033916
     RDKit          3D
2-Nonanol
 30 29  0  0  0  0  0  0  0  0999 V2000
    4.1589    0.6992   -0.0991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4471   -0.4093   -0.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1255   -0.6470   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2635    0.5694   -0.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0539    0.3614    0.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8433   -0.7292   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1720   -0.9769    0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0735    0.2104    0.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4133    0.7319   -0.8194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2718   -0.1687    1.1557 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2553    0.6733   -0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233    1.6581   -0.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9513    0.5469    0.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0711   -1.2993   -0.8406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2832   -0.0993   -1.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6482   -1.4977   -0.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -1.0216    0.8689 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279    0.8996   -1.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8212    1.3814    0.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6146    1.3170    0.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1685    0.0915    1.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2412   -1.6736    0.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8979   -0.5463   -1.1923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6762   -1.7804   -0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0315   -1.3331    1.5591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6777    1.0600    1.1366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2737    1.4496   -0.6777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5567    1.3116   -1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7786   -0.0484   -1.4870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8311   -0.7307    0.5406 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  1  0
  7  8  1  0
  8  9  1  0
  8 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
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  6 23  1  0
  7 24  1  0
  7 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
M  END

Synonyms

Value	Source
1-Methyl-1-octanol	ChEBI
2-Hydroxynonane	ChEBI
2-Nonyl alcohol	ChEBI
Methyl heptyl carbinol	ChEBI
2-Nonadecanol	HMDB
FEMA 3315	HMDB
Heptyl methyl carbinol	HMDB
N-Nonan-2-ol	HMDB
NONAN-2-ol	HMDB
Nonanol-(2)	HMDB

Molecular Formula

C₉H₂₀O

Average Mass

144.2545

Monoisotopic Mass

144.151415262

IUPAC Name

nonan-2-ol

Traditional Name

2-nonanol

CAS Registry Number

Not Available

SMILES

CCCCCCCC(C)O

InChI Identifier

InChI=1S/C9H20O/c1-3-4-5-6-7-8-9(2)10/h9-10H,3-8H2,1-2H3

InChI Key

NGDNVOAEIVQRFH-UHFFFAOYSA-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
Secondary alcohol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

secondary alcohol (CHEBI:78304 )

Functional Ontology

Not Available

Physical Properties

State

Liquid

Predicted Properties

Property	Value	Source
Water Solubility	0.3 g/L	ALOGPS
logP	3.56	ALOGPS
logP	3	ChemAxon
logS	-2.7	ALOGPS
pKa (Strongest Acidic)	17.68	ChemAxon
pKa (Strongest Basic)	-1.6	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	44.96 m³·mol⁻¹	ChemAxon
Polarizability	19.26 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

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0002-9000000000-9989b1e1be971110502f	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0002-9000000000-9989b1e1be971110502f	2018-05-18	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9100000000-51aeaa50bad981f67594	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-014i-9610000000-0c312ac51597649b46cc	2017-10-06	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-004i-0900000000-e445e98a8e6bc17f4d2b	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-4900000000-847b731ababa82b075ef	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-052f-9100000000-7c9deba59f0fba71d5aa	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-1900000000-82c080e3bd7c45b42243	2016-08-04	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-002f-2900000000-a9076cb6533f86997618	2016-08-04	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-056v-9400000000-65d5e822103253b2038b	2016-08-04	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0abi-9100000000-815cf8fc628b99e27261	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-9000000000-0a5f2106e881de9bdd6d	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-052f-9000000000-cb3c3d0a6e0287f417da	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0900000000-e529e08a9fa63a62cf27	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-1900000000-d485f076ddf714df78a4	2021-09-23	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-052f-9100000000-3c4a3401c854b7734594	2021-09-23	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0002-9000000000-b1ad8fe5be0a77bc23c9	2015-03-01	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 90 MHz, CDCl₃, experimental)		2015-03-01	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 15.09 MHz, CDCl₃, experimental)		2015-03-12	View Spectrum

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference
Celiac disease	Slight Increase	Association	Human Feces	HMDB	21970810

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Food		Vitis vinifera	FooDB	31437929
Plant	Plant	Anethum graveolens	FooDB	31437929
Plant	Leaves	Camellia sinensis	FooDB	31437929
Plant	Leaves		FooDB	31437929
Plant	Leaves		FooDB	31437929
Plant	Plant	Syzygium aromaticum	FooDB	31437929
Plant	Rhizome	Zingiber officinale	FooDB	31437929
Plant	Leaves		FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected and Quantified	0	15343.253	nmol/g wet feces	Children (1-13 years old)	Not Specified	Treated celiac disease	HMDB	21970810
Human Feces	Detected and Quantified	0	7001.515	nmol/g wet feces	Children (1-13 years old)	Not Specified	Normal	HMDB	21970810
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	17314143

External Links

HMDB ID

HMDB0033916

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB012114

KNApSAcK ID

Not Available

Chemspider ID

11861

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

2-Nonanol

METLIN ID

Not Available

PubChem Compound

12367

PDB ID

Not Available

ChEBI ID

78304

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. doi: 10.1038/35036052. [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. doi: 10.1194/jlr.R600022-JLR200. 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. doi: 10.1194/jlr.R700005-JLR200. 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). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. 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 2-Nonanol (MMDBc0047645)

MOL for #<Metabolite:0x00007f560852f818>

3D MOL for #<Metabolite:0x00007f560852f818>

3D SDF for #<Metabolite:0x00007f560852f818>

3D-SDF for #<Metabolite:0x00007f560852f818>

PDB for #<Metabolite:0x00007f560852f818>

3D PDB for #<Metabolite:0x00007f560852f818>

SMILES for #<Metabolite:0x00007f560852f818>

INCHI for #<Metabolite:0x00007f560852f818>

Structure for #<Metabolite:0x00007f560852f818>

3D Structure for #<Metabolite:0x00007f560852f818>