MiMeDB: Showing metabocard for E-Linalool oxide (MMDBc0033628)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:56:32 UTC

Update Date

2025-01-16 07:32:39 UTC

Metabolite ID

MMDBc0033628

Metabolite Identification

Common Name

E-Linalool oxide

Description

(±)-trans-Linalyl oxide is found in black elderberry. This is the trans form of furanoid linalool oxide, also called 'Linalool oxide A' or 'Linalool oxide II'; there are 2 possible stereo-isomers.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₁₀H₁₈O₂

Average Mass

170.2487

Monoisotopic Mass

170.13067982

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

34995-77-2

SMILES

Not Available

InChI Identifier

InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m0/s1

InChI Key

BRHDDEIRQPDPMG-WCBMZHEXSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Not Available

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

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

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces; Human saliva	Unknown

Exposure Sources

Food Exposures

Other Exposures

Source Type	Activity	Data Source	Reference

Host Biospecimen and Location

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

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Loscos N, Hernandez-Orte P, Cacho J, Ferreira V: Release and formation of varietal aroma compounds during alcoholic fermentation from nonfloral grape odorless flavor precursors fractions. J Agric Food Chem. 2007 Aug 8;55(16):6674-84. doi: 10.1021/jf0702343. Epub 2007 Jul 7. [PubMed:17616208 ]
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 E-Linalool oxide (MMDBc0033628)

MOL for #<Metabolite:0x00007fca40db8550>

3D MOL for #<Metabolite:0x00007fca40db8550>

3D SDF for #<Metabolite:0x00007fca40db8550>

3D-SDF for #<Metabolite:0x00007fca40db8550>

PDB for #<Metabolite:0x00007fca40db8550>

3D PDB for #<Metabolite:0x00007fca40db8550>

SMILES for #<Metabolite:0x00007fca40db8550>

INCHI for #<Metabolite:0x00007fca40db8550>

Structure for #<Metabolite:0x00007fca40db8550>

3D Structure for #<Metabolite:0x00007fca40db8550>