Compounds > 4-methyl-4-sulfanylpentan-2-one
Page last updated: 2024-12-07

4-methyl-4-sulfanylpentan-2-one

Description Research Excerpts Clinical Trials Roles Classes Pathways Study Profile Bioassays Related Drugs Related Conditions Protein Interactions Research Growth Market Indicators

Description

4-methyl-4-sulfanylpentan-2-one: a varietal aroma compound of Vitis vinifera; structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

4-mercapto-4-methylpentan-2-one : An alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group. [Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

FloraRankFlora DefinitionFamilyFamily Definition
VitisgenusA plant genus in the family Vitaceae. It is a woody vine cultivated worldwide. It is best known for grapes, the edible fruit and used to make WINE and raisins.[MeSH]VitaceaeA plant family of the order Rhamnales, subclass Rosidae, class Magnoliopsida, best known for the VITIS genus, the source of grapes.[MeSH]

Cross-References

ID SourceID
PubMed CID88290
CHEBI ID77856
SCHEMBL ID869584
MeSH IDM0523927

Synonyms (37)

Synonym
4-methyl-4-sulfanylpentan-2-one
2-pentanone, 4-mercapto-4-methyl-
4-methyl-4-thiolpentan-2-one
einecs 243-386-8
19872-52-7
AKOS006283682
4-methyl-4-mercapto-2-pentanone
4-mercapto-4-methylpentan-2-one
unii-9524rg5zql
9524rg5zql ,
4-mercapto-4-methyl-2-pentanone
4-methyl-4-mercapto-pentan-2-one
LMFA12000335
FT-0600299
fema no. 3997
4-mercapto-4-methyl-2-pentanone [fhfi]
4-methyl-4-mercaptopentan-2-one
2-mercapto-2-methylpentan-4-one
SCHEMBL869584
4-sulphanyl-4-methylpentan-2-one
4-sulfanyl-4-methylpentan-2-one
4-methyl-4-sulfanyl-2-pentanone
CHEBI:77856
DTXSID8051839
QRNZMFDCKKEPSX-UHFFFAOYSA-N
4-mercapto-4-methyl-pentan-2-one
4-mmp
4-methyl-4-mercaptopentan-2-one, aldrichcpr
mfcd00085208
J-012835
M3271
Q27147464
4-4 - mercaptoacetic - methyl ketone - 2 - e
AS-17349
A925051
D95275
fema3997
[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (2)

RoleDescription
Saccharomyces cerevisiae metaboliteAny fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae).
plant metaboliteAny eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
[role information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Drug Classes (2)

ClassDescription
alkanethiolAn alkanethiol is a compound in which a sulfanyl group, -SH, is attached to an alkyl group.
methyl ketoneA ketone of formula RC(=O)CH3 (R =/= H).
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res]

Research

Studies (24)

TimeframeStudies, This Drug (%)All Drugs %
pre-19900 (0.00)18.7374
1990's0 (0.00)18.2507
2000's9 (37.50)29.6817
2010's14 (58.33)24.3611
2020's1 (4.17)2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 19.02

According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be moderate demand-to-supply ratio for research on this compound.

MetricThis Compound (vs All)
Research Demand Index19.02 (24.57)
Research Supply Index3.22 (2.92)
Research Growth Index4.60 (4.65)
Search Engine Demand Index15.26 (26.88)
Search Engine Supply Index2.00 (0.95)

This Compound (19.02)

All Compounds (24.57)

Study Types

Publication TypeThis drug (%)All Drugs (%)
Trials0 (0.00%)5.53%
Reviews0 (0.00%)6.00%
Case Studies0 (0.00%)4.05%
Observational0 (0.00%)0.25%
Other24 (100.00%)84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]
SubstanceRelationship StrengthStudiesTrialsClassesRoles
hydrogen sulfide
Hydrogen Sulfide: A flammable, poisonous gas with a characteristic odor of rotten eggs. It is used in the manufacture of chemicals, in metallurgy, and as an analytical reagent. (From Merck Index, 11th ed). hydrogen sulfide : A sulfur hydride consisting of a single sulfur atom bonded to two hydrogen atoms. A highly poisonous, flammable gas with a characteristic odour of rotten eggs, it is often produced by bacterial decomposition of organic matter in the absence of oxygen.. thiol : An organosulfur compound in which a thiol group, -SH, is attached to a carbon atom of any aliphatic or aromatic moiety.		2.0710gas molecular entity;
hydracid;
mononuclear parent hydride;
sulfur hydride		Escherichia coli metabolite;
genotoxin;
metabolite;
signalling molecule;
toxin;
vasodilator agent
guaiacol
Guaiacol: An agent thought to have disinfectant properties and used as an expectorant. (From Martindale, The Extra Pharmacopoeia, 30th ed, p747). methylcatechol : Any member of the class of catechols carrying one or more methyl substituents.. guaiacol : A monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position.		2.1310guaiacolsdisinfectant;
EC 1.1.1.25 (shikimate dehydrogenase) inhibitor;
expectorant;
plant metabolite
sulfur dioxide
Sulfur Dioxide: A highly toxic, colorless, nonflammable gas. It is used as a pharmaceutical aid and antioxidant. It is also an environmental air pollutant.		2.0710sulfur oxideEscherichia coli metabolite;
food bleaching agent;
refrigerant
methionine
Methionine: A sulfur-containing essential L-amino acid that is important in many body functions.. methionine : A sulfur-containing amino acid that is butyric acid bearing an amino substituent at position 2 and a methylthio substituent at position 4.		2.0710aspartate family amino acid;
L-alpha-amino acid;
methionine zwitterion;
methionine;
proteinogenic amino acid		antidote to paracetamol poisoning;
human metabolite;
micronutrient;
mouse metabolite;
nutraceutical
phenylalanine
Phenylalanine: An essential aromatic amino acid that is a precursor of MELANIN; DOPAMINE; noradrenalin (NOREPINEPHRINE), and THYROXINE.. L-phenylalanine : The L-enantiomer of phenylalanine.. phenylalanine : An aromatic amino acid that is alanine in which one of the methyl hydrogens is substituted by a phenyl group.		2.0710amino acid zwitterion;
erythrose 4-phosphate/phosphoenolpyruvate family amino acid;
L-alpha-amino acid;
phenylalanine;
proteinogenic amino acid		algal metabolite;
EC 3.1.3.1 (alkaline phosphatase) inhibitor;
Escherichia coli metabolite;
human xenobiotic metabolite;
micronutrient;
mouse metabolite;
nutraceutical;
plant metabolite;
Saccharomyces cerevisiae metabolite
1-hexanol
1-hexanol: RN given refers to parent cpd. hexanol : A fatty alcohol consisting of a hydroxy function at any position of an unbranched saturated chain of six carbon atoms.. hexan-1-ol : A primary alcohol that is hexane substituted by a hydroxy group at position 1.		2.7730hexanol;
primary alcohol		alarm pheromone;
antibacterial agent;
fragrance;
plant metabolite
phenyl acetate
phenyl acetate: The ester formed between phenol and acetic acid. Don't confuse with phenylacetic acid derivatives listed under PHENYLACETATES.. phenyl acetate : An acetate ester obtained by the formal condensation of phenol with acetic acid.		2.4820benzenes;
phenyl acetates
2-methyl-3-furanthiol
2-methyl-3-furanthiol: possible off-flavor in stored orange juice		2.0710heteroarene
4-vinylphenol
4-vinylphenol: RN given refers to cpd with locants as specified. 4-hydroxystyrene : A member of the class of phenols that is styrene carrying a hydroxy substituent at position 4.		2.1310phenolshuman urinary metabolite;
human xenobiotic metabolite
4,5-dimethyl-3-hydroxy-2(5h)-furanone
[no description available]		2.1310butenolidemetabolite
3-mercaptohexyl acetate
3-mercaptohexyl acetate: structure in first source. 3-mercaptohexyl acetate : An acetate ester obtained by formal O-acetylation of 3-mercaptohexanol.		2.4820acetate ester;
alkanethiol		Saccharomyces cerevisiae metabolite
3-mercaptohexanol
3-mercaptohexanol: structure in first source. 3-mercaptohexanol : An alkanethiol that is hexane substituted at positions 1 and 3 by hydroxy and sulfanyl groups respectively.		3.79100alkanethiol;
primary alcohol		flavouring agent;
plant metabolite;
Saccharomyces cerevisiae metabolite
sulfur
Sulfur: An element that is a member of the chalcogen family. It has an atomic symbol S, atomic number 16, and atomic weight [32.059; 32.076]. It is found in the amino acids cysteine and methionine.		2.5720chalcogen;
nonmetal atom		macronutrient
cysteine
Cysteine: A thiol-containing non-essential amino acid that is oxidized to form CYSTINE.. L-cysteinium : The L-enantiomer of cysteinium.. cysteine : A sulfur-containing amino acid that is propanoic acid with an amino group at position 2 and a sulfanyl group at position 3.		8.0140cysteiniumfundamental metabolite
ConditionIndicatedRelationship StrengthStudiesTrials