MiMeDB: Showing metabocard for Ethyl 2-hydroxy propanoate (MMDBc0033461)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:49:37 UTC

Update Date

2024-09-29 03:46:03 UTC

Metabolite ID

MMDBc0033461

Metabolite Identification

Common Name

Ethyl 2-hydroxy propanoate

Description

Ethyl lactate, also known as ethyl 2-hydroxypropanoate, is the ethyl ester obtained of 2-hydroxypropanoic acid. It is a secondary alcohol, a lactate ester and an ethyl ester. It derives from a 2-hydroxypropanoic acid. It is an organic compound with the formula CH3CH(OH)CO2CH2CH3. Ethyl lactate is found naturally in small quantities in a wide variety of foods including wine, chicken, and various fruits. The odor of ethyl lactate when dilute is mild, buttery, creamy, with hints of fruit and coconut. It is also found in cabbage, peas, vinegar, bread, roasted chicken, butter, blackberry, pineapple, raspberry and various wines and spirits. This compound is considered biodegradable and can be used as a water-rinsable degreaser. he odor of ethyl lactate when dilute is mild, buttery, creamy, with hints of fruit and coconut. Ethyl lactate is produced from biological sources, and can be either the levo (S) form or dextro (R) form, depending on the organism that is the source of the lactic acid. Most biologically sourced ethyl lactate is ethyl (−)-L-lactate (ethyl (S)-lactate). Ethyl lactate is also produced industrially from petrochemical stocks, and this ethyl lactate consists of the racemic mixture of levo and dextro forms. Because both enantiomers are found in nature, and because ethyl lactate is easily biodegradable, it is considered to be a "green solvent". Ethyl lactate and its aqueous solutions are used as sustainable media for organic synthesis. Due to its relatively low toxicity, ethyl lactate is used commonly in pharmaceutical preparations, food additives, and fragrances. Ethyl lactate is also used as solvent for nitrocellulose, cellulose acetate, and cellulose ethers.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ethyl lactic acid	Generator
(+-)-Ethyl 2-hydroxypropanoate	HMDB
(+-)-Ethyl 2-hydroxypropionate	HMDB
2-Hydroxypropanoic acid ethyl ester	HMDB
Actylol	HMDB
Acytol	HMDB
Ethyl alpha-hydroxypropionate	HMDB
Ethyl ester OF lactic acid	HMDB
Eusolvan	HMDB
FEMA 2440	HMDB
Lactic acid, ethyl ester	HMDB
Solactol	HMDB
Ethyl lactate	ChEBI
Ethyl 2-hydroxypropanoic acid	Generator
Ethyl lactate, (R)-isomer	MeSH
Ethyl lactate, (S)-isomer	MeSH

Molecular Formula

C₅H₁₀O₃

Average Mass

118.1311

Monoisotopic Mass

118.062994186

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

2676-33-7

SMILES

Not Available

InChI Identifier

InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3

InChI Key

LZCLXQDLBQLTDK-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Carboxylic acid esters

Alternative Parents

Substituents

Secondary alcohol
Carboxylic acid ester
Monocarboxylic acid or derivatives
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

ethyl ester (CHEBI:78321 )
secondary alcohol (CHEBI:78321 )
lactate ester (CHEBI:78321 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

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

Not Available

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

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference
Food			FooDB	31437929
Food			FooDB	31437929
Plant	Leaves	Camellia sinensis	FooDB	31437929
Plant	Fruit	Ananas comosus	FooDB	31437929
Plant	Leaves		FooDB	31437929
Plant	Leaves		FooDB	31437929
Plant	Leaves		FooDB	31437929

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0040735

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB020545

KNApSAcK ID

C00050450

Chemspider ID

13837423

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Ethyl lactate

METLIN ID

Not Available

PubChem Compound

7344

PDB ID

Not Available

ChEBI ID

78321

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Antonelli A, Castellari L, Zambonelli C, Carnacini A: Yeast influence on volatile composition of wines. J Agric Food Chem. 1999 Mar;47(3):1139-44. doi: 10.1021/jf9807317. [PubMed:10552428 ]
Tsakiris A, Koutinas AA, Psarianos C, Kourkoutas Y, Bekatorou A: A new process for wine production by penetration of yeast in uncrushed frozen grapes. Appl Biochem Biotechnol. 2010 Oct;162(4):1109-21. doi: 10.1007/s12010-009-8881-8. Epub 2010 Feb 12. [PubMed:20151225 ]
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 Ethyl 2-hydroxy propanoate (MMDBc0033461)

MOL for #<Metabolite:0x00007f46d09de0e0>

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3D-SDF for #<Metabolite:0x00007f46d09de0e0>

PDB for #<Metabolite:0x00007f46d09de0e0>

3D PDB for #<Metabolite:0x00007f46d09de0e0>

SMILES for #<Metabolite:0x00007f46d09de0e0>

INCHI for #<Metabolite:0x00007f46d09de0e0>

Structure for #<Metabolite:0x00007f46d09de0e0>

3D Structure for #<Metabolite:0x00007f46d09de0e0>