MiMeDB: Showing metabocard for 1-Nonanol (MMDBc0047632)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 15:35:04 UTC

Update Date

2024-04-30 20:28:21 UTC

Metabolite ID

MMDBc0047632

Metabolite Identification

Common Name

1-Nonanol

Description

1-Nonanol is found in citrus. 1-Nonanol is widespread in nature. 1-Nonanol occurs in oils of orange, citronella and lemon. Also found in cheese, prickly pears and bread. 1-Nonanol is a straight chain fatty alcohol with nine carbon atoms and the molecular formula CH3(CH2)8OH. It is a colorless to slightly yellow liquid with a citrus odor similar to citronella oil

Structure

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

HMDB0031265
     RDKit          3D
1-Nonanol
 30 29  0  0  0  0  0  0  0  0999 V2000
    3.7288   -0.1984   -0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8164   -0.4811    1.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0108    0.7585    1.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1551    1.2195    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1594    0.1873   -0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7848   -0.1923    0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7868   -1.2283    0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6451   -0.7663   -0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4517    0.4644   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1968    0.7661   -1.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1686   -0.3337   -1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1237    0.8257   -0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5447   -0.9539   -0.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032   -0.7810    1.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075   -1.2798    0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4662    0.5830    2.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7547    1.5703    1.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    2.1357    0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8319    1.4855   -0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6192   -0.6804   -0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790    0.6866   -1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1730   -0.6589    1.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2422    0.7089    1.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1935   -2.0979    0.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4063   -1.6038    1.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3823   -1.5816   -0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800   -0.6345   -1.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2128    0.2545    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482    1.3225   -0.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6437    0.5034   -2.3196 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
  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
  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
  8 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
M  END

HMDB0031265
     RDKit          3D
1-Nonanol
 30 29  0  0  0  0  0  0  0  0999 V2000
    3.7288   -0.1984   -0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8164   -0.4811    1.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0108    0.7585    1.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1551    1.2195    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1594    0.1873   -0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7848   -0.1923    0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7868   -1.2283    0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6451   -0.7663   -0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4517    0.4644   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1968    0.7661   -1.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1686   -0.3337   -1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1237    0.8257   -0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5447   -0.9539   -0.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032   -0.7810    1.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075   -1.2798    0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4662    0.5830    2.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7547    1.5703    1.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    2.1357    0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8319    1.4855   -0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6192   -0.6804   -0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790    0.6866   -1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1730   -0.6589    1.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2422    0.7089    1.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1935   -2.0979    0.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4063   -1.6038    1.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3823   -1.5816   -0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800   -0.6345   -1.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2128    0.2545    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482    1.3225   -0.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6437    0.5034   -2.3196 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
  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
  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
  8 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
M  END

COMPND    HMDB0031265
HETATM    1  C1  UNL     1       3.729  -0.198  -0.174  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.816  -0.481   1.001  1.00  0.00           C  
HETATM    3  C3  UNL     1       2.011   0.759   1.359  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.155   1.220   0.219  1.00  0.00           C  
HETATM    5  C5  UNL     1       0.159   0.187  -0.228  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.785  -0.192   0.892  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.787  -1.228   0.449  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.645  -0.766  -0.689  1.00  0.00           C  
HETATM    9  C9  UNL     1      -3.452   0.464  -0.360  1.00  0.00           C  
HETATM   10  O1  UNL     1      -4.197   0.766  -1.524  1.00  0.00           O  
HETATM   11  H1  UNL     1       3.169  -0.334  -1.134  1.00  0.00           H  
HETATM   12  H2  UNL     1       4.124   0.826  -0.178  1.00  0.00           H  
HETATM   13  H3  UNL     1       4.545  -0.954  -0.187  1.00  0.00           H  
HETATM   14  H4  UNL     1       3.403  -0.781   1.892  1.00  0.00           H  
HETATM   15  H5  UNL     1       2.107  -1.280   0.703  1.00  0.00           H  
HETATM   16  H6  UNL     1       1.466   0.583   2.290  1.00  0.00           H  
HETATM   17  H7  UNL     1       2.755   1.570   1.556  1.00  0.00           H  
HETATM   18  H8  UNL     1       0.636   2.136   0.531  1.00  0.00           H  
HETATM   19  H9  UNL     1       1.832   1.485  -0.619  1.00  0.00           H  
HETATM   20  H10 UNL     1       0.619  -0.680  -0.709  1.00  0.00           H  
HETATM   21  H11 UNL     1      -0.479   0.687  -1.013  1.00  0.00           H  
HETATM   22  H12 UNL     1      -0.173  -0.659   1.695  1.00  0.00           H  
HETATM   23  H13 UNL     1      -1.242   0.709   1.306  1.00  0.00           H  
HETATM   24  H14 UNL     1      -1.194  -2.098   0.072  1.00  0.00           H  
HETATM   25  H15 UNL     1      -2.406  -1.604   1.273  1.00  0.00           H  
HETATM   26  H16 UNL     1      -3.382  -1.582  -0.889  1.00  0.00           H  
HETATM   27  H17 UNL     1      -2.080  -0.634  -1.627  1.00  0.00           H  
HETATM   28  H18 UNL     1      -4.213   0.254   0.419  1.00  0.00           H  
HETATM   29  H19 UNL     1      -2.848   1.323  -0.066  1.00  0.00           H  
HETATM   30  H20 UNL     1      -3.644   0.503  -2.320  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   26   27
CONECT    9   10   28   29
CONECT   10   30
END

HMDB0031265
     RDKit          3D
1-Nonanol
 30 29  0  0  0  0  0  0  0  0999 V2000
    3.7288   -0.1984   -0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8164   -0.4811    1.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0108    0.7585    1.3588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1551    1.2195    0.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1594    0.1873   -0.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7848   -0.1923    0.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7868   -1.2283    0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6451   -0.7663   -0.6894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4517    0.4644   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1968    0.7661   -1.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1686   -0.3337   -1.1344 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1237    0.8257   -0.1779 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5447   -0.9539   -0.1872 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4032   -0.7810    1.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1075   -1.2798    0.7028 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4662    0.5830    2.2903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7547    1.5703    1.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6360    2.1357    0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8319    1.4855   -0.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6192   -0.6804   -0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790    0.6866   -1.0128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1730   -0.6589    1.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2422    0.7089    1.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1935   -2.0979    0.0722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4063   -1.6038    1.2731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3823   -1.5816   -0.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0800   -0.6345   -1.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2128    0.2545    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8482    1.3225   -0.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6437    0.5034   -2.3196 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
  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
  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
  8 27  1  0
  9 28  1  0
  9 29  1  0
 10 30  1  0
M  END

Synonyms

Value	Source
1-Hydroxynonane	ChEBI
N-Nonanol	ChEBI
N-Nonyl alcohol	ChEBI
Nonalol	ChEBI
Nonyl alcohol	ChEBI
Nonylalkohol	ChEBI
Octyl carbinol	ChEBI
Pelargonalkohol	ChEBI
Pelargonic alcohol	ChEBI
Acovenoside c	HMDB
Alcohol C9	HMDB
FEMA 2789	HMDB
N-Nonan-1-ol	HMDB
Nonan-1-ol	HMDB
Nonanol	HMDB
Nonyl alcohol, 8ci	HMDB
1-Nonanol	ChEBI

Molecular Formula

C₉H₂₀O

Average Mass

144.2545

Monoisotopic Mass

144.151415262

IUPAC Name

nonan-1-ol

Traditional Name

nonanol

CAS Registry Number

Not Available

SMILES

CCCCCCCCCO

InChI Identifier

InChI=1S/C9H20O/c1-2-3-4-5-6-7-8-9-10/h10H,2-9H2,1H3

InChI Key

ZWRUINPWMLAQRD-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
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

fatty alcohol (CHEBI:35986 )
Fatty alcohols (LMFA05000092 )

Functional Ontology

Not Available

Physical Properties

State

Liquid

Predicted Properties

Property	Value	Source
Water Solubility	0.15 g/L	ALOGPS
logP	3.76	ALOGPS
logP	3.03	ChemAxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	16.84	ChemAxon
pKa (Strongest Basic)	-2	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	7	ChemAxon
Refractivity	45.14 m³·mol⁻¹	ChemAxon
Polarizability	19.52 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 - GC-MS (1 TMS)	splash10-0udi-9660000000-b95cd6ab0b8ab89795ed	2014-06-16	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4l-9000000000-2648d772854ff5198870	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4l-9000000000-3db8ad4ebd74a7222b40	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-052f-9000000000-7317cd2db1aad9ad8ee0	2017-09-12	View Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0udi-9660000000-b95cd6ab0b8ab89795ed	2017-09-12	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-05ic-9100000000-622096e54f96877e6b58	2016-09-22	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positive	splash10-0fk9-9300000000-229c451d434aed91ee22	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	splash10-004j-0900000000-153de458cd954cb2132a	2016-08-02	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-004i-5900000000-12bfcfa88c0327e0b098	2016-08-02	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-052f-9000000000-ae5f1f9caa44e8850be5	2016-08-02	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0900000000-c8adf7bea9ed89cf39fe	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-1900000000-dac8124c3dabe2a3e5ad	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-002g-9400000000-9650a4167f5689c41eeb	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0900000000-e529e08a9fa63a62cf27	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-0900000000-d0a386c95616ef4a24a0	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-052f-9100000000-edc6e2c602f80b3d9475	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0ab9-9100000000-57250276a419e6fd1a66	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4l-9000000000-0c595cbe71e6a8b330cf	2021-09-25	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-052f-9000000000-723621f24974dcaa1a2d	2021-09-25	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0a4l-9000000000-9e22e30ffe7d627f8077	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, 25.16 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

Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

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

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Plant	Fruit juice	Vaccinium corymbosum	FooDB	31437929
Plant	Leaf essential oil	Citrus limon	FooDB	31437929
Plant	Fruit	Rubus	FooDB	31437929
Plant	Fruit	Citrus aurantiifolia	FooDB	31437929
Plant	Fruit	Citrus sinensis	FooDB	31437929
Plant	Fruit	Citrullus lanatus	FooDB	31437929
Plant	Juice	Rubus	FooDB	31437929
Plant	Fruit	Citrus reticulata	FooDB	31437929
Plant	Oil	Brassica oleracea var. botrytis	FooDB	31437929
Plant	Leaves	Mentha x piperita	FooDB	31437929
Plant	Essential oil	Zingiber officinale	FooDB	31437929
Plant	Fruit	Opuntia	FooDB	31437929
Plant	Fruit	Cucumis melo	FooDB	31437929
Plant	Essence	Cucumis sativus	FooDB	31437929
Plant	Plant	Satureja montana	FooDB	31437929
Plant	Silk stigma style	Crocus sativus	FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	17314143
Human Feces	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	20055983

External Links

HMDB ID

HMDB0031265

DrugBank ID

DB03143

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

1-Nonanol

METLIN ID

Not Available

PubChem Compound

8914

PDB ID

F09

ChEBI ID

35986

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 1-Nonanol (MMDBc0047632)

MOL for #<Metabolite:0x00007f46d9433bc8>

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3D SDF for #<Metabolite:0x00007f46d9433bc8>

3D-SDF for #<Metabolite:0x00007f46d9433bc8>

PDB for #<Metabolite:0x00007f46d9433bc8>

3D PDB for #<Metabolite:0x00007f46d9433bc8>

SMILES for #<Metabolite:0x00007f46d9433bc8>

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Structure for #<Metabolite:0x00007f46d9433bc8>

3D Structure for #<Metabolite:0x00007f46d9433bc8>