3-mercaptohexyl acetate

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

Description

3-mercaptohexyl acetate: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

3-mercaptohexyl acetate : An acetate ester obtained by formal O-acetylation of 3-mercaptohexanol. [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]

Cross-References

ID Source	ID
PubMed CID	518810
CHEBI ID	77818
SCHEMBL ID	112254
MeSH ID	M0501939

Synonyms (33)

Synonym
3-sulfanylhexyl acetate
3-mercaptohexyl acetate
AKOS006345214
136954-20-6
unii-2n346iqc0m
2n346iqc0m ,
1-hexanol, 3-mercapto-, 1-acetate
LMFA05000540
3-thiohexyl acetate
FT-0643262
SCHEMBL112254
(+/-)-3-sulfanylhexyl acetate
3-sulfanylhexyl acetate, (+/-)-
fema no. 3851, pure-
CHEBI:77818
mfcd00792516
hexane-3-thiol acetate
3-sulfanylhexyl acetate #
JUCARGIKESIVLB-UHFFFAOYSA-N
M2497
acetic acid 3-mercaptohexyl ester
J-800447
J-640414
AS-61325
3-mercaptohexyl acetate, >=98%, fg
(s)-3-mercaptohexyl acetate
3-mercaptohexylacetate
J-006942
DTXSID50869866
Q27147423
AMY24734
D91605
biotin-nhs?(+)-biotin n-hydroxysuccinimide ester

[information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Roles (1)

Role	Description
Saccharomyces cerevisiae metabolite	Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae).
[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)

Class	Description
acetate ester	Any carboxylic ester where the carboxylic acid component is acetic acid.
alkanethiol	An alkanethiol is a compound in which a sulfanyl group, -SH, is attached to an alkyl group.
[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 (9)

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	0 (0.00)	18.7374
1990's	0 (0.00)	18.2507
2000's	3 (33.33)	29.6817
2010's	6 (66.67)	24.3611
2020's	0 (0.00)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Market Indicators

Research Demand Index: 25.77

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.

Metric	This Compound (vs All)
Research Demand Index	25.77 (24.57)
Research Supply Index	2.30 (2.92)
Research Growth Index	4.73 (4.65)
Search Engine Demand Index	26.67 (26.88)
Search Engine Supply Index	2.00 (0.95)

This Compound (25.77)

All Compounds (24.57)

Study Types

Publication Type	This drug (%)	All Drugs (%)
Trials	0 (0.00%)	5.53%
Reviews	0 (0.00%)	6.00%
Case Studies	0 (0.00%)	4.05%
Observational	0 (0.00%)	0.25%
Other	9 (100.00%)	84.16%
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

Substance	Relationship Strength	Studies	Classes	Roles
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.	2.78	3	hexanol; 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.	3.68	9	benzenes; phenyl acetates
2-methyl-3-furanthiol 2-methyl-3-furanthiol: possible off-flavor in stored orange juice	7.03	1	heteroarene
4-methyl-4-sulfanylpentan-2-one 4-methyl-4-sulfanylpentan-2-one: a varietal aroma compound of Vitis vinifera; structure in first source. 4-mercapto-4-methylpentan-2-one : An alkylthiol that is 4-methylpentan-2-one substituted at position 4 by a mercapto group.	2.48	2	alkanethiol; methyl ketone	plant metabolite; 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.	3.47	7	alkanethiol; primary alcohol	flavouring agent; plant metabolite; Saccharomyces cerevisiae metabolite
2-hexenal, z-isomer 2-hexenal: product of lipid peroxidation in the rat liver; a green odor chemical; do not confuse with the hexabarbital synonym, hexenal; RN given refers to cpd without isomeric designation. 2-hexenal : A hexenal having the double bond at the 2-position.. (2E)-hexenal : A 2-hexenal in which the olefinic double bond has E configuration. It occurs naturally in a wide range of fruits, vegetables, and spices.	2.08	1	2-hexenal	antibacterial agent; flavouring agent; plant metabolite
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.	2.11	1	cysteinium	fundamental metabolite
tannins Tannins: Polyphenolic compounds with molecular weights of around 500-3000 daltons and containing enough hydroxyl groups (1-2 per 100 MW) for effective cross linking of other compounds (ASTRINGENTS). The two main types are HYDROLYZABLE TANNINS and CONDENSED TANNINS. Historically, the term has applied to many compounds and plant extracts able to render skin COLLAGEN impervious to degradation. The word tannin derives from the Celtic word for OAK TREE which was used for leather processing.	2.11	1

Condition	Indicated	Relationship Strength	Studies	Trials
Sensitivity and Specificity Binary classification measures to assess test results. Sensitivity or recall rate is the proportion of true positives. Specificity is the probability of correctly determining the absence of a condition. (From Last, Dictionary of Epidemiology, 2d ed)	0	2.03	1	0

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