MiMeDB: Showing metabocard for Terpinyl acetate (MMDBc0033717)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 05:00:15 UTC

Update Date

2022-08-31 22:37:58 UTC

MiMeDB ID

MMDBc0033717

Metabolite Identification

Common Name

Terpinyl acetate

Description

alpha-Terpineol acetate, also known as a-terpineol acetic acid or p-menth-1-en-8-yl acetate, belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. alpha-Terpineol acetate is a very hydrophobic molecule, practically insoluble in water, and relatively neutral.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₂₀O₂

Average Molecular Weight

196.286

Monoisotopic Molecular Weight

196.146329884

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

80-26-2

SMILES

Not Available

InChI Identifier

InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h5,11H,6-8H2,1-4H3

InChI Key

IGODOXYLBBXFDW-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Extracellular
Membrane

Biospecimen Locations

Saliva

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	Shoot	Daucus carota	FooDB	31437929	details
Plant		Apium graveolens var. dulce	FooDB	31437929	details
Plant	Fruit essential oil	Elettaria cardamomum	FooDB	31437929	details
Plant	Shoot	Apium graveolens	FooDB	31437929	details
Plant	Shoot	Daucus carota ssp. sativus	FooDB	31437929	details
Plant	Root	Daucus carota ssp. sativus	FooDB	31437929	details
Plant	Essential oil	Hyssopus officinalis	FooDB	31437929	details

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)	Not Specified	Normal	HMDB	24421258	details
Human Saliva	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	20809147	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 Terpinyl acetate (MMDBc0033717)

MOL for #<Metabolite:0x000055b76e250348>

3D MOL for #<Metabolite:0x000055b76e250348>

3D SDF for #<Metabolite:0x000055b76e250348>

3D-SDF for #<Metabolite:0x000055b76e250348>

PDB for #<Metabolite:0x000055b76e250348>

3D PDB for #<Metabolite:0x000055b76e250348>

SMILES for #<Metabolite:0x000055b76e250348>

INCHI for #<Metabolite:0x000055b76e250348>

Structure for #<Metabolite:0x000055b76e250348>

3D Structure for #<Metabolite:0x000055b76e250348>