MiMeDB: Showing metabocard for Ethyl butanoate (MMDBc0033431)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:48:18 UTC

Update Date

2022-08-31 22:36:02 UTC

MiMeDB ID

MMDBc0033431

Metabolite Identification

Common Name

Ethyl butanoate

Description

Ethyl butyrate, also known as ethyl butanoate, or butyric ether, is an ester with the chemical formula CH3CH2CH2COOCH2CH3, with one oxygen having a double bond. It is soluble in propylene glycol, paraffin oil and kerosene. Ethyl butyrate is present in many fruits e.g. apple, apricot, banana, plum, tangerine etc. Ethyl butyrate is a flavouring ingredient and it can be synthesized by reacting ethanol and butyric acid. This is a condensation reaction, meaning water is produced in the reaction as a byproduct.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₁₂O₂

Average Molecular Weight

116.1583

Monoisotopic Molecular Weight

116.083729628

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

105-54-4

SMILES

Not Available

InChI Identifier

InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3

InChI Key

OBNCKNCVKJNDBV-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Liquid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Related Health Condition	Evidence Type	Measured in Matrix	Reference
Crohn's disease	This associated disease is originally imported from HMDB metabolite HMDB0033889 concentration id 121831	Association	Human Feces	23867873	details
Irritable bowel syndrome	This associated disease is originally imported from HMDB metabolite HMDB0033889 concentration id 121829	Association	Human Feces	23867873	details
Ulcerative colitis	This associated disease is originally imported from HMDB metabolite HMDB0033889 concentration id 121830	Association	Human Feces	23867873	details

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Fungi	Ascomycota	1	Human Feces	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details
Food			FooDB	31437929	details
Food			FooDB	31437929	details
Food			FooDB	31437929	details
Food			FooDB	31437929	details
Food			FooDB	31437929	details
Plant	Plant	Malus pumila	FooDB	31437929	details
Plant	Fruit	Cucumis sativus	FooDB	31437929	details
Plant	Fruit	Rubus	FooDB	31437929	details
Plant	Fruit juice	Citrus sinensis	FooDB	31437929	details
Plant	Fruit	Ananas comosus	FooDB	31437929	details
Plant	Juice	Rubus	FooDB	31437929	details
Plant	Fruit	Ribes nigrum	FooDB	31437929	details
Plant	Fruit	Vaccinium angustifolium	FooDB	31437929	details
Plant	Essence	Malus pumila	FooDB	31437929	details
Plant	Fruit	Prunus avium	FooDB	31437929	details
Plant	Fruit	Opuntia	FooDB	31437929	details
Plant	Fruit	Pyrus pyrifolia	FooDB	31437929	details
Plant	Fruit	Psidium guajava	FooDB	31437929	details
Plant	Fruit	Ficus carica	FooDB	31437929	details
Plant	Fruit	Passiflora edulis	FooDB	31437929	details
Plant	Fruit	Carica papaya	FooDB	31437929	details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Min	Max	Age	Sex	Health Condition	Data Source	Reference
Human	Detected and Quantified	0.000396	0.000034	0.00324	Not Specified	Not Specified	Crohns disease	HMDB	23867873	details
Human	Detected and Quantified	0.0000086	0	0.000362	Not Specified	Not Specified	Irritable bowel syndrome	HMDB	23867873	details
Human	Detected and Quantified	0.000189	0	0.00279	Not Specified	Not Specified	Ulcerative colitis	HMDB	23867873	details
Human	Detected and Quantified	473.492			Adult (>18 years old)	Not Specified	Normal	HMDB	26416813	details
Human	Detected and Quantified	2505.202			Adult (>18 years old)	Not Specified	Normal	HMDB	26416813	details
Human	Detected and Quantified	3997.418			Adult (>18 years old)	Not Specified	Normal	HMDB	26416813	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	17314143	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	19167006	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	20055983	details
Human Feces	Detected but not Quantified				Newborn (0-30 days old)	Both	Normal	HMDB	21386183	details
Human Feces	Detected but not Quantified				Children (1-13 years old)	Not Specified	Normal	HMDB	21970810	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	23454028	details
Human Feces	Detected but not Quantified				Children (1-13 years old)	Both	Normal	HMDB	24130822	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	24922509	details

External Links

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 Ethyl butanoate (MMDBc0033431)

MOL for #<Metabolite:0x00007f0920131688>

3D MOL for #<Metabolite:0x00007f0920131688>

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3D-SDF for #<Metabolite:0x00007f0920131688>

PDB for #<Metabolite:0x00007f0920131688>

3D PDB for #<Metabolite:0x00007f0920131688>

SMILES for #<Metabolite:0x00007f0920131688>

INCHI for #<Metabolite:0x00007f0920131688>

Structure for #<Metabolite:0x00007f0920131688>

3D Structure for #<Metabolite:0x00007f0920131688>