MiMeDB: Showing metabocard for Geranyl acetone (MMDBc0033645)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:57:14 UTC

Update Date

2025-01-15 19:22:53 UTC

Metabolite ID

MMDBc0033645

Metabolite Identification

Common Name

Geranyl acetone

Description

Acetone, or propanone, is an organic compound with the formula (CH3)2CO. It is the simplest and smallest ketone. It is a colourless, highly volatile and flammable liquid with a characteristic pungent odour. Acetone is miscible with water and serves as an important organic solvent in its own right, in industry, home, and laboratory. Acetone is produced and disposed of in the human body through normal metabolic processes. It is normally present in blood and urine. People with diabetic ketoacidosis produce it in larger amounts. Acetone is not regarded as a waste product of metabolism. However, its physiological role in biochemical machinery is not clear. A model for the role of acetone metabolism is presented that orders the events occurring in acetonemia in sequence: in diabetic ketosis or starvation, ketone body production (b-hydroxy-butyrate, acetoacetate) provides fuel for vital organs (heart, brain, among others) raising the chance of survival of the metabolic catastrophe. However, when ketone body production exceeds the degrading capacity, the accumulating acetoacetic acid presents a new challenge to the pH regulatory system. Acetone production and its further degradation to C3 fragments fulfill two purposes: the maintenance of pH buffering capacity and provision of fuel for peripheral tissues. Since ketosis develops under serious metabolic circumstances, all the mechanisms that balance or moderate the effects of ketosis enhance the chance for survival. From this point of view, the theory that transportable C3 fragments can serve as additional nutrients is a novel view of acetone metabolism which introduces a new approach to the study of acetone degradation, especially in understanding its physiological function and the interrelationship between liver and peripheral tissues. (PMID 10580530 ). Acetone is typically derived from acetoacetate through the action of microbial acetoacetate decarboxylases found in gut microflora. In chemistry, acetone is the simplest representative of the ketones. Acetone is a colorless, mobile, flammable liquid readily soluble in water, ethanol, ether, etc., and itself serves as an important solvent. It is an irritant and inhalation may lead to hepatotoxic effects (causing liver damage). Acetone can be found in Clostridium (PMID:685531 ).

Structure

MOL SDF PDB SMILES InChI

geranyl acetone
  Mrv1572001071617082D          

 14 13  0  0  0  0            999 V2000
    4.5375    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9500    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7750    2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    3.5724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    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
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
  1  5  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0033645

> <DATABASE_NAME>
MIME

> <SMILES>
CC(C)=CCC\C(C)=C\CCC(C)=O

> <INCHI_IDENTIFIER>
InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+

> <INCHI_KEY>
HNZUNIKWNYHEJJ-FMIVXFBMSA-N

> <FORMULA>
C13H22O

> <MOLECULAR_WEIGHT>
194.318

> <EXACT_MASS>
194.167065328

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
36

> <JCHEM_AVERAGE_POLARIZABILITY>
24.90987585771945

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(5E)-6,10-dimethylundeca-5,9-dien-2-one

> <ALOGPS_LOGP>
4.59

> <JCHEM_LOGP>
3.6816755403333334

> <ALOGPS_LOGS>
-3.31

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.598762051814717

> <JCHEM_PKA_STRONGEST_BASIC>
-7.2778271430393975

> <JCHEM_POLAR_SURFACE_AREA>
17.07

> <JCHEM_REFRACTIVITY>
63.8259

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
9.42e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
geranylacetone

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 07-JAN-16   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: geranyl acetone                                   
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   07-JAN-16         0                                  
HETATM    1  C   UNK     0       8.470   4.001   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.240   5.335   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      10.780   5.335   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       8.470   6.668   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.930   4.001   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.160   2.667   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.620   2.667   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.850   4.001   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.850   1.334   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.310   1.334   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.540   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.770  -1.334   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.770   1.334   0.000  0.00  0.00           C+0
CONECT    1    2    5                                                       
CONECT    2    1    3    4                                                  
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    6    1                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12                                                            
MASTER        0    0    0    0    0    0    0    0   14    0   26    0
END

Synonyms

Value	Source
(e)-6,10-Dimethyl-5,9-undecadien-2-one	ChEBI
(e)-6,10-Dimethylundeca-5,9-dien-2-one	ChEBI
Geranylacetone	ChEBI
trans-Geranylacetone	ChEBI
Geranylacetone, (e)-isomer	MeSH

Molecular Formula

C₁₃H₂₂O

Average Mass

194.318

Monoisotopic Mass

194.167065328

IUPAC Name

(5E)-6,10-dimethylundeca-5,9-dien-2-one

Traditional Name

geranylacetone

CAS Registry Number

67-64-1

SMILES

CC(C)=CCC\C(C)=C\CCC(C)=O

InChI Identifier

InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+

InChI Key

HNZUNIKWNYHEJJ-FMIVXFBMSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Monoterpenoids

Direct Parent

Acyclic monoterpenoids

Alternative Parents

Substituents

Acyclic monoterpenoid
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

monoterpene ketone (CHEBI:67206 )
Hydrocarbons (LMFA11000696 )

Functional Ontology

Not Available

Physical Properties

State

Liquid

Predicted Properties

Property	Value	Source
Water Solubility	0.094 g/L	ALOGPS
logP	4.59	ALOGPS
logP	3.68	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	19.6	ChemAxon
pKa (Strongest Basic)	-7.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	17.07 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	63.83 m³·mol⁻¹	ChemAxon
Polarizability	24.91 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9600000000-41458b4911ee6554b5b4	2016-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-002b-0900000000-22aaf2de71220d323f8c	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-05y1-5900000000-b9793a3c456efd9db543	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0gb9-9200000000-0ccb71b516f62ccb1982	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0006-0900000000-49a606374f47e6c4e143	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-2900000000-37d60e4771277898dc21	2016-08-03	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0a4i-9600000000-52911be4f91a2692f60a	2016-08-03	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0006-9200000000-c6dd2f5838016a5108be	2015-03-01	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Mitochondria

Biospecimen Locations

Adipose Tissue
Adrenal Gland
Bladder
Blood
Brain
Breast Milk
Cerebrospinal Fluid (CSF)
Epidermis
Feces
Fibroblasts
Kidney
Liver
Neuron
Pancreas
Placenta
Saliva
Testis
Thyroid Gland
Urine

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
Alcoholism	Increased	Association	Human Blood	HMDB	2779169
Celiac disease		Association	Human Feces	HMDB	21970810
Crohn's disease		Association	Human Feces	HMDB	23867873
Diabetes mellitus type 2		Association	Human Urine	HMDB	6321058
Hepatic coma		Association	Human Cerebrospinal Fluid (CSF)	HMDB	7320160
Irritable bowel syndrome		Association	Human Feces	HMDB	23867873
Kidney disease		Association	Human Blood	HMDB	914932
Lung cancer		Association	Human Urine	HMDB	18953024
Paraquat poisoning		Association	Human Urine	HMDB	9625050
Ulcerative colitis		Association	Human Feces	HMDB	23867873
Eosinophilic esophagitis		Association	Human Urine	HMDB	Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown
Bacteria/Eubacteria	Proteobacteria	26	Turkey ; Human ; Human feces
Bacteria/Eubacteria	Firmicutes	6	Human feces; Human
Bacteria	Actinobacteria	4	Human
Bacteria/Eubacteria	Tenericutes	1	Human
Bacteria/Eubacteria	Actinobacteria	2	Human
Bacteria	Proteobacteria	1	Turkey ; Human ; Human feces

Exposure Sources

Other Exposures

Source Type	Activity	Data Source	Reference
Cosmetics	Not Available	U.S. Environmental Protection Agency	CompTox
Domestics	Not Available	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Blood	Detected and Quantified	1520.0		206.6	5285.0	uM	Adult (>18 years old)	Both	Alcohol intoxication	HMDB	2779169
Human Feces	Detected and Quantified			0	188995.123	nmol/g wet feces	Children (1-13 years old)	Not Specified	Treated celiac disease	HMDB	21970810
Human Feces	Detected and Quantified	0.00143		0.000654	0.00436	nmol/g wet feces	Not Specified	Not Specified	Crohns disease	HMDB	23867873
Human Urine	Detected and Quantified	13.2				umol/mmol creatinine	Adult (>18 years old)	Both	Diabetes	HMDB	6321058
Human Blood	Detected and Quantified	14.5	3.6			uM	Adult (>18 years old)	Female	Early preeclampsia	HMDB	22494326
Human Cerebrospinal fluid (csf)	Detected and Quantified	2700				uM	Adult (>18 years old)	Not Specified	Hepatic encephalopathy	HMDB	7320160
Human Feces	Detected and Quantified	0.00117		0.000620	0.00260	nmol/g wet feces	Not Specified	Not Specified	Irritable bowel syndrome	HMDB	23867873
Human Blood	Detected and Quantified			25.0	85.0	uM	Adult (>18 years old)	Both	Kidney disease	HMDB	914932
Human Blood	Detected and Quantified	22.1	11.4			uM	Adult (>18 years old)	Female	Late-onset preeclampsia	HMDB	23159745
Human Urine	Detected and Quantified	5.0	5.0			umol/mmol creatinine	Adult (>18 years old)	Both	Lung cancer	HMDB	18953024
Human Urine	Detected and Quantified	11.2				umol/mmol creatinine	Adult (>18 years old)	Both	Paraquat poisoning	HMDB	9625050
Human Blood	Detected and Quantified	10.5	3.3			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	23313728
Human Blood	Detected and Quantified	14.9	8.5			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	23159745
Human Blood	Detected and Quantified	15.98	9.44			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	23535240
Human Blood	Detected and Quantified	17.2	20.3			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	22494326
Human Blood	Detected and Quantified	18.46	5.83			uM	Adult (>18 years old)	Female	Pregnancy	HMDB	24704061
Human Feces	Detected and Quantified	0.00208		0.00138	0.00415	nmol/g wet feces	Not Specified	Not Specified	Ulcerative colitis	HMDB	23867873
Human Urine	Detected and Quantified	5.2				umol/mmol creatinine	Not Specified	Male	Normal	HMDB	1787157
Human Urine	Detected and Quantified	<6.6				umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	9625050
Human Feces	Detected and Quantified			0	337126.436	nmol/g wet feces	Children (1-13 years old)	Not Specified	Normal	HMDB	21970810
Human Saliva	Detected and Quantified			1	41	uM	Adult (>18 years old)	Male	normal	HMDB	19259987
Human Saliva	Detected and Quantified	10		<1	45	uM	Adult (>18 years old)	Male	Normal	HMDB	19259987
Human Breast milk	Detected and Quantified	10.3	6.4			uM	Adult (>18 years old)	Female	Normal	HMDB	24027187
Human Blood	Detected and Quantified	106.0		35.0	170.0	uM	Adult (>18 years old)	Both	Normal	HMDB	1787157
Human Urine	Detected and Quantified			14	110	umol/mmol creatinine	Newborn (0-30 days old)	Both	Normal	HMDB	31506554
Human Saliva	Detected and Quantified	17		1	198	uM	Adult (>18 years old)	Male	Normal	HMDB	19259987
Human Saliva	Detected and Quantified	17		1	214	uM	Adult (>18 years old)	Male	Normal	HMDB	19259987
Human Saliva	Detected and Quantified			2	347	uM	Adult (>18 years old)	Male	normal	HMDB	19259987
Human Urine	Detected and Quantified	2.24	4.13			umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	7672857
Human Cerebrospinal fluid (csf)	Detected and Quantified	20	21			uM	Adult (>18 years old)	Both	Normal	HMDB	18502700
Human Urine	Detected and Quantified	3.9		0.8	17.6	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	24023812
Human Blood	Detected and Quantified			35.00	170.0	uM	Adult (>18 years old)	Both	Normal	HMDB	1787157
Human Blood	Detected and Quantified	47.3		40.4	54.2	uM	Adult (>18 years old)	Male	Normal	HMDB	10353310
Human Blood	Detected and Quantified	54.4	29.6			uM	Adult (>18 years old)	Both	Normal	HMDB	21359215
Human Cerebrospinal fluid (csf)	Detected and Quantified	67.1		43.0	91.2	uM	Adult (>18 years old)	Both	Normal	HMDB	15627241
Human Saliva	Detected and Quantified	7		<1	44	uM	Adult (>18 years old)	Female	Normal	HMDB	19259987
Human Urine	Detected and Quantified	6.931	9.374			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Eosinophilic esophagitis	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified	3.914	3.929			umol/mmol creatinine	Children (1 - 13 years old)	Not Specified	Normal	HMDB	Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work)
Human Urine	Detected and Quantified			17.23	86.14	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	David F. Putnam Composition and Concentrative Properties of Human Urine. NASA Contractor Report. July 1971
Human Urine	Detected and Quantified	0.92		0.20	2.8	umol/mmol creatinine	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Cerebrospinal fluid (csf)	Detected and Quantified	117.0	65.0			uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	30.0	20.0			uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Urine	Detected and Quantified	4.2		0.98	15.3	umol/mmol creatinine	Infant (0-1 year old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Blood	Detected and Quantified	50.0	5.0			uM	Adult (>18 years old)	Both	Normal	HMDB	Geigy Scientific Tables, 8th Rev edition, pp. 130. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp. Basel, Switzerland c1981-1992.
Human Saliva	Detected and Quantified	25.34	22.82			uM	Adult (>18 years old)	Both	Normal	HMDB	https://doi.org/10.1007/s11306-015-0840-5
Human Adipose tissue	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Adrenal gland	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Bladder	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Brain	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Epidermis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Fibroblasts	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Kidney	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Liver	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Neuron	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Pancreas	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Placenta	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Testis	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597
Human Thyroid gland	Detected but not Quantified						Not Specified	Not Specified	Normal	HMDB	34986597

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

1549778

PDB ID

Not Available

ChEBI ID

67206

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Abou-Zeid AA, Fouad M, Yassein M: Microbiological production of acetone-butanol by Clostridium acetobutylicum. Zentralbl Bakteriol Naturwiss. 1978;133(2):125-34. doi: 10.1016/s0323-6056(78)80023-8. [PubMed:685531 ]
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Showing metabocard for Geranyl acetone (MMDBc0033645)

MOL for #<Metabolite:0x00007fca48832290>

3D MOL for #<Metabolite:0x00007fca48832290>

3D SDF for #<Metabolite:0x00007fca48832290>

3D-SDF for #<Metabolite:0x00007fca48832290>

PDB for #<Metabolite:0x00007fca48832290>

3D PDB for #<Metabolite:0x00007fca48832290>

SMILES for #<Metabolite:0x00007fca48832290>

INCHI for #<Metabolite:0x00007fca48832290>

Structure for #<Metabolite:0x00007fca48832290>

3D Structure for #<Metabolite:0x00007fca48832290>