MiMeDB: Showing metabocard for 2-mMethyl-phenol (MMDBc0001073)

Plant

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-14 18:42:39 UTC

Update Date

2022-08-31 06:17:34 UTC

Metabolite ID

MMDBc0001073

Metabolite Identification

Common Name

2-mMethyl-phenol

Description

2-Methyl-phenol, also known as o-Cresol, is a minor urinary metabolite of toluene. 2-methyl-phenol is a cresol that is phenol substituted by a methyl group at position 2. It is a minor urinary metabolite of toluene. It has a role as a human xenobiotic metabolite. It is widely used chemical with neurotoxicological properties (PMID:15687000 ). 2-Methyl-phenol is used commercially as a disinfectant. Exposure may occur by inhalation, by cutaneous adsorption or by oral ingestion. 2-Methyl-phenol denature and precipitate cellular proteins and thus may rapidly cause poisoning. 2-Methyl-phenol is metabolized by conjugation and oxidation. Ingestion of 2-methyl-phenol cause intense burning of mouth and throat, followed by marked abdominal pain and distress. The minimum lethal dose of cresol by mouth is about 2 g (PMID 15040915 ). 2-Methyl-phenol is a microbial metabolite that can be found in Pseudomonas. Besides, 2-methyl-phenol is one of the chemical compounds found in castoreum. This compound is gathered from the beaver's castor glands and found in the white cedar consumed by the beavers. Together with many other compounds, 2-methyl-phenol is traditionally extracted from coal tar, the volatile materials obtained in the production of coke from coal. A similar source material is petroleum residues. These residue contains a few percent by weight of phenol and isomeric cresols. In addition to the materials derived from these natural sources, about two thirds of the Western world's supply is produced by methylation of phenol using methanol.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₇H₈O

Average Mass

108.1378

Monoisotopic Mass

108.057514878

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3

InChI Key

QWVGKYWNOKOFNN-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Blood
Feces
Urine

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

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated 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
Cresol poisoning IBS		Association	Human Blood	HMDB	15040915

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Actinobacteria	1
Eukaryota/Fungi	Ascomycota	3	Human feces	Metabolic reconstruction; Unknown

Exposure Sources

Food Exposures

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Min	Max	Age	Sex	Health Condition	Data Source	Reference
Human	Detected and Quantified	17.5	9.24	32.6	Adult (>18 years old)	Both	Cresol poisoning	HMDB	15040915
Human	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	21494609
Human	Detected but not Quantified				NULL	NULL	Normal	HMDB	21543078
Human	Detected but not Quantified				Children (1-13 years old)	Not Specified	Treated celiac disease	HMDB	21970810
Human	Detected but not Quantified				Children (1-13 years old)	Not Specified	Normal	HMDB	21970810
Human	Detected and Quantified	17.5	9.24	32.6	Adult (>18 years old)	Both	Cresol poisoning	HMDB	15040915
Human Urine	Detected but not Quantified				NULL	NULL	Normal	HMDB	21543078
Human Feces	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	21494609
Human Feces	Detected but not Quantified				Children (1-13 years old)	Not Specified	Normal	HMDB	21970810

External Links

Not Available

General References

Boatto G, Nieddu M, Carta A, Pau A, Lorenzoni S, Manconi P, Serra D: Determination of phenol and o-cresol by GC/MS in a fatal poisoning case. Forensic Sci Int. 2004 Jan 28;139(2-3):191-4. doi: 10.1016/j.forsciint.2003.10.023. [PubMed:15040915 ]
Fustinoni S, Mercadante R, Campo L, Scibetta L, Valla C, Foa V: Determination of urinary ortho- and meta-cresol in humans by headspace SPME gas chromatography/mass spectrometry. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Mar 25;817(2):309-17. doi: 10.1016/j.jchromb.2004.12.029. [PubMed:15687000 ]

Showing metabocard for 2-mMethyl-phenol (MMDBc0001073)

MOL for #<Metabolite:0x00007f1241410820>

3D MOL for #<Metabolite:0x00007f1241410820>

3D SDF for #<Metabolite:0x00007f1241410820>

3D-SDF for #<Metabolite:0x00007f1241410820>

PDB for #<Metabolite:0x00007f1241410820>

3D PDB for #<Metabolite:0x00007f1241410820>

SMILES for #<Metabolite:0x00007f1241410820>

INCHI for #<Metabolite:0x00007f1241410820>

Structure for #<Metabolite:0x00007f1241410820>

3D Structure for #<Metabolite:0x00007f1241410820>