MiMeDB: Showing metabocard for 1,4-Decanolide (MMDBc0033551)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:53:14 UTC

Update Date

2024-09-29 04:03:46 UTC

Metabolite ID

MMDBc0033551

Metabolite Identification

Common Name

1,4-Decanolide

Description

Dihydro-5-pentyl-2(3H)-furanone, also known as g-nonanolide, belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom. Thus, dihydro-5-pentyl-2(3H)-furanone is considered to be a fatty ester. Based on a literature review very few articles have been published on Dihydro-5-pentyl-2(3H)-furanone.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
g-Nonanolide	HMDB
Γ-nonanolide	HMDB

Molecular Formula

C₉H₁₆O₂

Average Mass

156.2221

Monoisotopic Mass

156.115029756

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

82373-92-0

SMILES

Not Available

InChI Identifier

InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3

InChI Key

OALYTRUKMRCXNH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gamma butyrolactones. Gamma butyrolactones are compounds containing a gamma butyrolactone moiety, which consists of an aliphatic five-member ring with four carbon atoms, one oxygen atom, and bears a ketone group on the carbon adjacent to the oxygen atom.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Lactones

Sub Class

Gamma butyrolactones

Direct Parent

Gamma butyrolactones

Alternative Parents

Substituents

Gamma butyrolactone
Tetrahydrofuran
Carboxylic acid ester
Oxacycle
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Lactones (LMFA07040021 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

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

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

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	20809147
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Not Specified	Normal	HMDB	24421258

External Links

HMDB ID

HMDB0031531

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB008138

KNApSAcK ID

C00001318

Chemspider ID

7424

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

7710

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Ramirez-Gaona M, Marcu A, Pon A, Guo AC, Sajed T, Wishart NA, Karu N, Djoumbou Feunang Y, Arndt D, Wishart DS: YMDB 2.0: a significantly expanded version of the yeast metabolome database. Nucleic Acids Res. 2017 Jan 4;45(D1):D440-D445. doi: 10.1093/nar/gkw1058. Epub 2016 Nov 28. [PubMed:27899612 ]
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 1,4-Decanolide (MMDBc0033551)

MOL for #<Metabolite:0x00007f46e0a5ea50>

3D MOL for #<Metabolite:0x00007f46e0a5ea50>

3D SDF for #<Metabolite:0x00007f46e0a5ea50>

3D-SDF for #<Metabolite:0x00007f46e0a5ea50>

PDB for #<Metabolite:0x00007f46e0a5ea50>

3D PDB for #<Metabolite:0x00007f46e0a5ea50>

SMILES for #<Metabolite:0x00007f46e0a5ea50>

INCHI for #<Metabolite:0x00007f46e0a5ea50>

Structure for #<Metabolite:0x00007f46e0a5ea50>

3D Structure for #<Metabolite:0x00007f46e0a5ea50>