MiMeDB: Showing metabocard for sulcatone (MMDBc0033171)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:37:36 UTC

Update Date

2022-08-31 22:27:06 UTC

Metabolite ID

MMDBc0033171

Metabolite Identification

Common Name

sulcatone

Description

Sulcatone, also known as methylheptenone or fema 2707, belongs to the class of organic compounds known as ketones. These are organic compounds in which a carbonyl group is bonded to two carbon atoms R2C=O (neither R may be a hydrogen atom). Ketones that have one or more alpha-hydrogen atoms undergo keto-enol tautomerization, the tautomer being an enol. Sulcatone is a very hydrophobic methylketone, practically insoluble in water, and relatively neutral. It exists as a clear, colorless liquid. Sulcatone can be found in all eukaryotes, ranging from yeast to plants to humans. Sulcatone has a musty, apple green-bean, and pear-like taste. and a citrus-like lemongrass odor. It is a volatile oil component of citronella oil, lemon-grass oil and palmarosa oil. Sulcatone is naturally found in bay leaf, blackberry fruit, sour cherries, cloves, ginger and lavender. In insects and animals, it has a role as an alarm or attractant pheromone. In fact, sulcatone is one of a number of mosquito attractants, especially for those species such as Aedes aegypti with the odor receptor gene Or4 (PMID:25391959 ). Sulcatone is secreted by humans in their sweat and is a compound frequently found in human body odors (but in few other mammals). Sulcoatone is used as a pheromone by ferrets, european badgers, red foxes, treefrogs, bedbugs, wasps and butterflies. Sulcatone is one of several ketones found in Cannabis sativa (PMID:6991645 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₈H₁₄O

Average Mass

126.1962

Monoisotopic Mass

126.10446507

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

110-93-0

SMILES

Not Available

InChI Identifier

InChI=1S/C8H14O/c1-7(2)5-4-6-8(3)9/h5H,4,6H2,1-3H3

InChI Key

UHEPJGULSIKKTP-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Liquid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Feces
Saliva

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

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated 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
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	Unknown

Exposure Sources

Food Exposures

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Min	Max	Age	Sex	Health Condition	Data Source	Reference
Human	Detected and Quantified	0	470986.184	Children (1-13 years old)	Not Specified	Treated celiac disease	HMDB	21970810
Human	Detected and Quantified	0	84075.432	Children (1-13 years old)	Not Specified	Normal	HMDB	21970810
Human Saliva	Detected but not Quantified			Adult (>18 years old)	Not Specified	Normal	HMDB	24421258
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	19167006
Human Feces	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	20055983
Human Feces	Detected but not Quantified			Newborn (0-30 days old)	Both	Normal	HMDB	21386183
Human Feces	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	21386183
Human Feces	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	24260553
Human Feces	Detected but not Quantified			Adult (>18 years old)	Both	Normal	HMDB	24811995

External Links

Not Available

General References

Scheer M, Grote A, Chang A, Schomburg I, Munaretto C, Rother M, Sohngen C, Stelzer M, Thiele J, Schomburg D: BRENDA, the enzyme information system in 2011. Nucleic Acids Res. 2011 Jan;39(Database issue):D670-6. doi: 10.1093/nar/gkq1089. Epub 2010 Nov 9. [PubMed:21062828 ]
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..

Showing metabocard for sulcatone (MMDBc0033171)

MOL for #<Metabolite:0x00007f124094a850>

3D MOL for #<Metabolite:0x00007f124094a850>

3D SDF for #<Metabolite:0x00007f124094a850>

3D-SDF for #<Metabolite:0x00007f124094a850>

PDB for #<Metabolite:0x00007f124094a850>

3D PDB for #<Metabolite:0x00007f124094a850>

SMILES for #<Metabolite:0x00007f124094a850>

INCHI for #<Metabolite:0x00007f124094a850>

Structure for #<Metabolite:0x00007f124094a850>

3D Structure for #<Metabolite:0x00007f124094a850>