MiMeDB: Showing metabocard for butyl butanoate (MMDBc0033438)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:48:36 UTC

Update Date

2022-08-31 22:36:03 UTC

MiMeDB ID

MMDBc0033438

Metabolite Identification

Common Name

butyl butanoate

Description

Butyl butyrate, or butyl butanoate, is an organic compound that is an ester formed by the condensation of butyric acid and n-butanol. It is a clear, colorless liquid that is insoluble in water, but miscible with ethanol and diethyl ether. Its refractive index is 1.406 at 20 °C. Butyl butyrate is found in alcoholic beverages. Butyl butyrate is present in many fruits, e.g. banana, cherry, melon, plum, also present in gruyere de comte cheese, cider, soybean etc. Butyl butyrate is used in fruit flavour compositions Butyl butyrate is an organic compound which is an ester formed by the condensation of butyric acid and butanol. It is a clear, colorless liquid that is insoluble in water, but miscible with ethanol and diethyl ether.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₁₆O₂

Average Molecular Weight

144.2114

Monoisotopic Molecular Weight

144.115029756

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

109-21-7

SMILES

Not Available

InChI Identifier

InChI=1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3

InChI Key

XUPYJHCZDLZNFP-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Liquid

Predicted Properties

Not Available

Spectra

Not Available

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

Proteins

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Not Available

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

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
Plant	Juice	Rubus	FooDB	31437929	details
Plant	Essence	Malus pumila	FooDB	31437929	details
Plant	Fruit	Malus pumila	FooDB	31437929	details
Plant	Fruit	Pyrus communis	FooDB	31437929	details
Plant	Fruit	Prunus avium	FooDB	31437929	details
Plant	Fruit	Prunus avium	FooDB	31437929	details
Plant	Fruit	Pyrus pyrifolia	FooDB	31437929	details
Plant		Musa acuminata	FooDB	31437929	details
Plant	Fruit	Rubus	FooDB	31437929	details

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
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	Adult (>18 years old)	Both	Normal	HMDB	23454028	details
Human Feces	Detected but not Quantified	Adult (>18 years old)	Female	Normal	HMDB	23454028	details
Human Feces	Detected but not Quantified	Children (1-13 years old)	Both	Normal	HMDB	24130822	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 butyl butanoate (MMDBc0033438)

MOL for #<Metabolite:0x000055b76e20ce68>

3D MOL for #<Metabolite:0x000055b76e20ce68>

3D SDF for #<Metabolite:0x000055b76e20ce68>

3D-SDF for #<Metabolite:0x000055b76e20ce68>

PDB for #<Metabolite:0x000055b76e20ce68>

3D PDB for #<Metabolite:0x000055b76e20ce68>

SMILES for #<Metabolite:0x000055b76e20ce68>

INCHI for #<Metabolite:0x000055b76e20ce68>

Structure for #<Metabolite:0x000055b76e20ce68>

3D Structure for #<Metabolite:0x000055b76e20ce68>