MiMeDB: Showing metabocard for Perillyl aldehyde (MMDBc0048216)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-04-29 21:53:59 UTC

Update Date

2022-09-01 02:14:23 UTC

MiMeDB ID

MMDBc0048216

Metabolite Identification

Common Name

Perillyl aldehyde

Description

Perillaldehyde, or perilla aldehyde, is a natural organic compound found most abundantly in the perennial herb perilla, but also in a wide variety of other plants and essential oils. It is a monoterpenoid containing an aldehyde functional group.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₄O

Average Molecular Weight

150.221

Monoisotopic Molecular Weight

150.104465071

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

2111-75-3

SMILES

Not Available

InChI Identifier

InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3

InChI Key

RUMOYJJNUMEFDD-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

Feces
Saliva

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

#<MetaboliteProteinLink:0x000055b76d34d710>

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

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
NULL	Proteobacteria	1
	Firmicutes	1
Fungi	Basidiomycota	8	Human Feces
Fungi	Ascomycota	2

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

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

External Links

Not Available

References

Synthesis Reference

Not Available

General References

Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]

Showing metabocard for Perillyl aldehyde (MMDBc0048216)

MOL for #<Metabolite:0x000055b76e0b3558>

3D MOL for #<Metabolite:0x000055b76e0b3558>

3D SDF for #<Metabolite:0x000055b76e0b3558>

3D-SDF for #<Metabolite:0x000055b76e0b3558>

PDB for #<Metabolite:0x000055b76e0b3558>

3D PDB for #<Metabolite:0x000055b76e0b3558>

SMILES for #<Metabolite:0x000055b76e0b3558>

INCHI for #<Metabolite:0x000055b76e0b3558>

Structure for #<Metabolite:0x000055b76e0b3558>

3D Structure for #<Metabolite:0x000055b76e0b3558>