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Record Information

Version

5.0

Status

Detected and Quantified

Creation Date

2006-05-22 14:17:33 UTC

Update Date

2023-02-21 17:16:06 UTC

HMDB ID

HMDB0002048

Secondary Accession Numbers

HMDB02048

Metabolite Identification

Common Name

m-Cresol

Description

m-Cresol is an isomer of p-cresol and o-cresol. Cresols are organic compounds which are methylphenols. They are a widely occurring natural and manufactured group of aromatic organic compounds which are categorized as phenols (sometimes called phenolics). Depending on the temperature, cresols can be solid or liquid because they have melting points not far from room temperature. Like other types of phenols, they are slowly oxidized by long exposure to air and the impurities often give cresols a yellowish to brownish red tint. Cresols have an odor characteristic to that of other simple phenols, reminiscent to some of a "medicine" smell. Cresol solutions are used as household cleaners and disinfectants, perhaps most famously under the trade name Lysol. In the past, cresol solutions have been used as antiseptics in surgery, but they have been largely displaced in this role by less toxic compounds. Lysol was also advertised as a disinfecting vaginal douche in mid-twentieth century America. Cresols are found in many foods and in wood and tobacco smoke, crude oil, coal tar, and in brown mixtures such as creosote and cresylic acids, which are wood preservatives. Small organisms in soil and water produce cresols when they break down materials in the environment. Most exposures to cresols are at very low levels that are not harmful. When cresols are breathed, ingested, or applied to the skin at very high levels, they can be very harmful. Effects observed in people include irritation and burning of skin, eyes, mouth, and throat; abdominal pain and vomiting; heart damage; anemia; liver and kidney damage; facial paralysis; coma; and death. Breathing high levels of cresols for a short time results in irritation of the nose and throat. Aside from these effects, very little is known about the effects of breathing cresols, for example, at lower levels over longer times. Ingesting high levels results in kidney problems, mouth and throat burns, abdominal pain, vomiting, and effects on the blood and nervous system. Skin contact with high levels of cresols can burn the skin and damage the kidneys, liver, blood, brain, and lungs. m-Cresol is a microbial metabolite that can be found in Lysinibacillus.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
1-Hydroxy-3-methylbenzene	ChEBI
3-Cresol	ChEBI
3-Hydroxytoluene	ChEBI
3-Methylphenol	ChEBI
m-Kresol	ChEBI
m-Methylphenol	ChEBI
Meta-cresol	ChEBI
Metacresol	ChEBI
3-Cresol, calcium salt(1:2)	MeSH
3-Cresol, sodium salt	MeSH
3-Phenylphenol	ChEBI, HMDB
m-Cresylic acid	HMDB
m-Hydroxytoluene	HMDB
m-Oxytoluene	HMDB
m-Toluol	HMDB
m-Cresol	KEGG

Chemical Formula

C₇H₈O

Average Molecular Weight

108.1378

Monoisotopic Molecular Weight

108.057514878

IUPAC Name

3-methylphenol

Traditional Name

M-cresol

CAS Registry Number

108-39-4

SMILES

CC1=CC(O)=CC=C1

InChI Identifier

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

InChI Key

RLSSMJSEOOYNOY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

M-cresol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Toluene
Monocyclic benzene moiety
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

cresol (CHEBI:17231 )
a methylphenol (CPD-112 )

Ontology

Physiological effect

Health effect

Circulatory system disorder

Vascular disorder

Hypertension (HMDB: HMDB0002048)
Hypotension (HMDB: HMDB0002048)

Blood and lymphatic system disorder

Hypoglycemia (HMDB: HMDB0002048)

Observation

Poisoning

Cresol poisoning IBS (HMDB: HMDB0002048)

Nervous system disorder

Central nervous system disorder

Psychiatric disorder

Mood disorder

Major depressive disorder (HMDB: HMDB0002048)

Neurotic, stress-related, or somatoform disorder

Anxiety (HMDB: HMDB0002048)

Coma (HMDB: HMDB0002048)

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 11955837)
Saliva (HMDB: HMDB0002048)

Cellular substructure

Membrane (HMDB: HMDB0002048)
Cell membrane (HMDB: HMDB0002048)

Excreta

Biofluid or Excreta

Urine (PMID: 19309105)
Feces (PMID: 21494609)

Route of exposure

Parenteral

Dermal (HMDB: HMDB0002048)
Inhalation (HMDB: HMDB0002048)

Enteral

Ingestion (HMDB: HMDB0002048)

Source

Exogenous

Exogenous (HMDB: HMDB0002048)

Food

Food (HMDB: HMDB0002048)

Animal origin

Poultry

Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)
Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Equine

Horse (FooDB: FOOD00378)

Vegetable

Shoot vegetable

Asparagus (FooDB: FOOD00021)

Fruit vegetable

Eggplant (FooDB: FOOD00174)

Milk and milk product

Unfermented milk

Milk (Cow) (FooDB: FOOD00618)

Tea

Coffee and coffee product

Coffee

Arabica coffee (FooDB: FOOD00059)

Synthetic

Synthetic (HMDB: HMDB0002048)

Environmental

Sludge (HMDB: HMDB0002048)

Endogenous

Endogenous (HMDB: HMDB0002048)

Plant

Plant (HMDB: HMDB0002048)
Coffea (HMDB: HMDB0002048)

Microbe

Microbe (HMDB: HMDB0002048)
Lysinibacillus cresolivorans (HMDB: HMDB0002048)

Process

Not Available

Role

Industrial application

Pharmaceutical industry

Pharmaceutical (HMDB: HMDB0002048)

Food and nutrition

Food and nutrition (HMDB: HMDB0002048)

Agriculture

Pesticide

Pesticide (HMDB: HMDB0002048)

Fragrance (HMDB: HMDB0002048)

Environmental role

Air pollutant (HMDB: HMDB0002048)

Biological role

Human xenobiotic metabolite (HMDB: HMDB0002048)
Anti septic (HMDB: HMDB0002048)
Hemolytic (HMDB: HMDB0002048)
Irritant (HMDB: HMDB0002048)

Physical Properties

State

Liquid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	11.8 °C	Not Available
Boiling Point	202.00 to 203.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Water Solubility	22.7 mg/mL at 25 °C	Not Available
LogP	1.96	HANSCH,C ET AL. (1995)

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	25.1 g/L	ALOGPS
logP	1.93	ALOGPS
logP	2.18	ChemAxon
logS	-0.63	ALOGPS
pKa (Strongest Acidic)	10.13	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	33.08 m³·mol⁻¹	ChemAxon
Polarizability	11.91 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	121.394	31661259
DarkChem	[M-H]-	118.327	31661259
DeepCCS	[M+H]+	121.372	30932474
DeepCCS	[M-H]-	118.151	30932474
DeepCCS	[M-2H]-	154.757	30932474
DeepCCS	[M+Na]+	129.932	30932474
AllCCS	[M+H]+	118.7	32859911
AllCCS	[M+H-H2O]+	113.7	32859911
AllCCS	[M+NH4]+	123.5	32859911
AllCCS	[M+Na]+	124.8	32859911
AllCCS	[M-H]-	117.3	32859911
AllCCS	[M+Na-2H]-	119.8	32859911
AllCCS	[M+HCOO]-	122.6	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
m-Cresol	CC1=CC=CC(O)=C1	2109.1	Standard polar	33892256
m-Cresol	CC1=CC=CC(O)=C1	1038.0	Standard non polar	33892256
m-Cresol	CC1=CC=CC(O)=C1	1067.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
m-Cresol,1TMS,isomer #1	CC1=CC=CC(O[Si](C)(C)C)=C1	1130.0	Semi standard non polar	33892256
m-Cresol,1TBDMS,isomer #1	CC1=CC=CC(O[Si](C)(C)C(C)(C)C)=C1	1366.1	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - m-Cresol EI-B (Non-derivatized)	splash10-0a4i-6900000000-f2082b2d78602454887c	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - m-Cresol EI-B (Non-derivatized)	splash10-0a4i-9700000000-987a7fd82a03c828f2f6	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - m-Cresol EI-B (Non-derivatized)	splash10-0a4i-5900000000-80356192ec6d2f2cce17	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - m-Cresol GC-EI-TOF (Non-derivatized)	splash10-014l-3900000000-5be628cfaed43892ecb6	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - m-Cresol EI-B (Non-derivatized)	splash10-0a4i-6900000000-f2082b2d78602454887c	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - m-Cresol EI-B (Non-derivatized)	splash10-0a4i-9700000000-987a7fd82a03c828f2f6	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - m-Cresol EI-B (Non-derivatized)	splash10-0a4i-5900000000-80356192ec6d2f2cce17	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - m-Cresol GC-EI-TOF (Non-derivatized)	splash10-014l-3900000000-5be628cfaed43892ecb6	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - m-Cresol GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-6900000000-b8ad5789d64b1436f653	2016-09-22	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - m-Cresol GC-MS (1 TMS) - 70eV, Positive	splash10-01b9-7900000000-bea1778da40d4c1353e5	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - m-Cresol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - m-Cresol GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-0a4i-9800000000-f9433af649d30cc0e317	2014-09-20	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - m-Cresol Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-0a4i-4900000000-ff165ee98ef540125c4f	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - m-Cresol Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-00kf-9000000000-606fcb6bc90a29dd8728	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - m-Cresol Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-014i-9000000000-dcdf60701ebd4f253aff	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - m-Cresol EI-B (VARIAN MAT-44) , Positive-QTOF	splash10-0a4i-6900000000-8a57217dc9acf65664ce	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - m-Cresol EI-B (HITACHI RMU-6L) , Positive-QTOF	splash10-0a4i-9700000000-987a7fd82a03c828f2f6	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - m-Cresol EI-B (HITACHI RMU-7M) , Positive-QTOF	splash10-0a4i-5900000000-80356192ec6d2f2cce17	2012-08-31	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - m-Cresol 10V, Positive-QTOF	splash10-0a4i-0900000000-50eeee8ccda679df8336	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - m-Cresol 20V, Positive-QTOF	splash10-0a4i-1900000000-8d97f02d4ffa2f7ea5d7	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - m-Cresol 40V, Positive-QTOF	splash10-0gb9-9100000000-5118914f1ab03a16ca6e	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - m-Cresol 10V, Negative-QTOF	splash10-0a4i-0900000000-a61d3231658626b2b393	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - m-Cresol 20V, Negative-QTOF	splash10-0a4i-0900000000-373e69629866322cc176	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - m-Cresol 40V, Negative-QTOF	splash10-0a4i-9700000000-c3be74dad978cee7d152	2016-09-12	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - m-Cresol 10V, Negative-QTOF	splash10-0a4i-0900000000-3f09649991cc4cfcf1ec	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - m-Cresol 20V, Negative-QTOF	splash10-0a4i-4900000000-058b7146c5399581303c	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - m-Cresol 40V, Negative-QTOF	splash10-00kf-9000000000-1ab6752f7f0666600263	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - m-Cresol 10V, Positive-QTOF	splash10-0a4i-3900000000-1564c33b741bc83530e8	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - m-Cresol 20V, Positive-QTOF	splash10-054o-9200000000-627147be2fad4471903e	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - m-Cresol 40V, Positive-QTOF	splash10-014u-9000000000-4f6fdf895856dea20b9e	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Membrane (predicted from logP)

Biospecimen Locations

Blood
Feces
Saliva
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Normal	Not Available	details
Feces	Detected but not Quantified	Not Quantified	Not Specified	Not Specified	Normal	21494609	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	24029555	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	23454028	details
Saliva	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Normal	Zerihun T. Dame, ...	details
Urine	Detected and Quantified	0.13 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	19309105	details

Abnormal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Detected and Quantified	8849.0 (8877.0-9062.0) uM	Adult (>18 years old)	Both	Cresol poisoning	11955837	details
Blood	Detected and Quantified	2219.0 (2126.0-2496.0) uM	Adult (>18 years old)	Both	Cresol poisoning	11955837	details
Feces	Detected but not Quantified	Not Quantified	Adult (>18 years old)	Both	Nonalcoholic fatty liver disease (NAFLD)	23454028	details

Associated Disorders and Diseases

Disease References

Cresol poisoning IBS
Monma-Ohtaki J, Maeno Y, Nagao M, Iwasa M, Koyama H, Isobe I, Seko-Nakamura Y, Tsuchimochi T, Matsumoto T: An autopsy case of poisoning by massive absorption of cresol a short time before death. Forensic Sci Int. 2002 Mar 28;126(1):77-81. [PubMed:11955837 ]
Nonalcoholic fatty liver disease
Raman M, Ahmed I, Gillevet PM, Probert CS, Ratcliffe NM, Smith S, Greenwood R, Sikaroodi M, Lam V, Crotty P, Bailey J, Myers RP, Rioux KP: Fecal microbiome and volatile organic compound metabolome in obese humans with nonalcoholic fatty liver disease. Clin Gastroenterol Hepatol. 2013 Jul;11(7):868-75.e1-3. doi: 10.1016/j.cgh.2013.02.015. Epub 2013 Feb 27. [PubMed:23454028 ]

Associated OMIM IDs

None

External Links

DrugBank ID

DB01776

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

M-cresol

METLIN ID

Not Available

PubChem Compound

342

PDB ID

Not Available

ChEBI ID

17231

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

rw1007701

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Oxford JS, Lambkin R, Gibb I, Balasingam S, Chan C, Catchpole A: A throat lozenge containing amyl meta cresol and dichlorobenzyl alcohol has a direct virucidal effect on respiratory syncytial virus, influenza A and SARS-CoV. Antivir Chem Chemother. 2005;16(2):129-34. [PubMed:15889535 ]
Koetsawang A, Koetsawang S: The use of a condensation product of metacresol sulfonic acid with methanal in the treatment of cervical erosion. J Med Assoc Thai. 1980 Nov;63(11):608-10. [PubMed:7205102 ]
Malaise J, Leonet J, Goffin E, Lefebvre C, Tennstedt D, Vandeleene B, Buysschaert M, Squifflet JP: Pancreas transplantation for treatment of generalized allergy to human insulin in type 1 diabetes. Transplant Proc. 2005 Jul-Aug;37(6):2839. [PubMed:16182826 ]
Perez de Salazar JL, Diaz Loya FJ, Garcia Mendoza M: [The trichomonacidal, fungicidal and bactericidal effects of metacresol sulfonic acid polymer with methanal in cervico-vaginitis]. Ginecol Obstet Mex. 1983 Feb;51(310):43-8. [PubMed:6681370 ]
Hussain K, Campagnolo ER: Suspected cresol poisoning in cattle presented for slaughter. Vet Hum Toxicol. 2002 Feb;44(1):11-4. [PubMed:11824764 ]
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Showing metabocard for m-Cresol (HMDB0002048)

MOL for HMDB0002048 (m-Cresol)

3D MOL for HMDB0002048 (m-Cresol)

3D SDF for HMDB0002048 (m-Cresol)

3D-SDF for HMDB0002048 (m-Cresol)

PDB for HMDB0002048 (m-Cresol)

3D PDB for HMDB0002048 (m-Cresol)

SMILES for HMDB0002048 (m-Cresol)

INCHI for HMDB0002048 (m-Cresol)

Structure for HMDB0002048 (m-Cresol)

3D Structure for HMDB0002048 (m-Cresol)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra