1,3,4-butanetriol profile

1,3,4-Butanetriol is a trihydric alcohol with the chemical formula HOCH2CH(OH)CH2CH2OH. It is a colorless, viscous liquid that is soluble in water and ethanol. It is a versatile building block for the synthesis of various organic compounds, including pharmaceuticals, polymers, and surfactants. 1,3,4-Butanetriol is also a potential precursor for the production of biodegradable polymers and renewable fuels. It is studied for its potential applications in various fields, including medicine, materials science, and green chemistry. The synthesis of 1,3,4-butanetriol typically involves the reduction of 1,3,4-butanetrione or the hydration of 3-buten-1-ol.'

1,2,4-butanetriol: structure in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]

1,2,4-butanetriol : A triol that is butane carrying three hydroxy substituents at position 1, 2 and 4. [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]

ID Source	ID
PubMed CID	18302
CHEMBL ID	1356759
CHEBI ID	88063
SCHEMBL ID	29798
MeSH ID	M0295466

Synonym
butane-1,2,4-triol
1,2,4-butanetriol
brn 1733456
nsc 60197
einecs 221-323-5
1,2,4-trihydroxybutane
1,3,4-butanetriol
1,2,4-butantriol [german]
nsc-60197
1,4-trihydroxybutane
1,4-butanetriol
nsc60197
triol 124
2-deoxyerythritol
butane-1,4-triol
3068-00-6
(+/-)-1,2,4-butanetriol, 95%
NCGC00166117-01
NCGC00166126-01
NCGC00166053-01
(+/-)-1,2,4-butanetriol, technical, >=90% (gc)
A637710B-C321-4E3F-A354-64FC18733531
(+/-)-1,2,4-butanetriol
FT-0639811
AKOS000120020
1,2,4-butantriol
unii-nk798c370h
nk798c370h ,
2-01-00-00596 (beilstein handbook reference)
B0687
FT-0605292
FT-0606242
FT-0605119
SCHEMBL29798
1,2,4-butane triol
(+/-)-butane-1,2,4-triol
SY003295
mfcd00002929
CHEMBL1356759
hoch2ch(oh)ch2ch2oh
NCGC00356954-01
tox21_303969
dtxcid6024416
dtxsid8044416 ,
cas-3068-00-6
Q-200057
CHEBI:88063
mfcd00063213
(+/-)-1,2,4-butanetriol, analytical standard
Q4187980
CS-0008443
AS-12262
AC2226
methscopolaminebromide
AMY6061
1.2.4-butanetriol
2,4-trihydroxybutane
SY274042
EN300-20062

Role	Description
bacterial xenobiotic metabolite	Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
Escherichia coli metabolite	Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
[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]

Class	Description
triol	A chemical compound containing three hydroxy groups.
[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]

Protein	Taxonomy	Measurement	Average (µ)	Min (ref.)	Avg (ref.)	Max (ref.)	Bioassay(s)
GLI family zinc finger 3	Homo sapiens (human)	Potency	24.3365	0.0007	14.5928	83.7951	AID1259369
thyroid hormone receptor beta isoform a	Homo sapiens (human)	Potency	0.2818	0.0100	39.5371	1,122.0200	AID1479
histone acetyltransferase KAT2A isoform 1	Homo sapiens (human)	Potency	18.5331	0.2512	15.8432	39.8107	AID504327
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023]

Assay ID	Title	Year	Journal	Article
AID1347086	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lymphocytic Choriomeningitis Arenaviruses (LCMV): LCMV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347083	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: Viability assay - alamar blue signal for LASV Primary Screen	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
AID1347082	qHTS for Inhibitors of the Functional Ribonucleoprotein Complex (vRNP) of Lassa (LASV) Arenavirus: LASV Primary Screen - GLuc reporter signal	2020	Antiviral research, 01, Volume: 173	A cell-based, infectious-free, platform to identify inhibitors of lassa virus ribonucleoprotein (vRNP) activity.
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023]

Timeframe	Studies, This Drug (%)	All Drugs %
pre-1990	3 (11.54)	18.7374
1990's	2 (7.69)	18.2507
2000's	3 (11.54)	29.6817
2010's	15 (57.69)	24.3611
2020's	3 (11.54)	2.80
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023]

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	26 (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-butanol 1-Butanol: A four carbon linear hydrocarbon that has a hydroxy group at position 1.. butan-1-ol : A primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes.	4.59	25	alkyl alcohol; primary alcohol; short-chain primary fatty alcohol	human metabolite; mouse metabolite; protic solvent
glycerol Moon: The natural satellite of the planet Earth. It includes the lunar cycles or phases, the lunar month, lunar landscapes, geography, and soil.	2.67	3	alditol; triol	algal metabolite; detergent; Escherichia coli metabolite; geroprotector; human metabolite; mouse metabolite; osmolyte; Saccharomyces cerevisiae metabolite; solvent
propylene glycol Propylene Glycol: A clear, colorless, viscous organic solvent and diluent used in pharmaceutical preparations.. propane-1,2-diol : The simplest member of the class of propane-1,2-diols, consisting of propane in which a hydrogen at position 1 and a hydrogen at position 2 are substituted by hydroxy groups. A colourless, viscous, hygroscopic, low-melting (-59degreeC) and high-boiling (188degreeC) liquid with low toxicity, it is used as a solvent, emulsifying agent, and antifreeze.	1.93	1	glycol; propane-1,2-diols	allergen; human xenobiotic metabolite; mouse metabolite; protic solvent
1,2-dipalmitoylphosphatidylcholine 1,2-Dipalmitoylphosphatidylcholine: Synthetic phospholipid used in liposomes and lipid bilayers to study biological membranes. It is also a major constituent of PULMONARY SURFACTANTS.	2	1
tryptophan Tryptophan: An essential amino acid that is necessary for normal growth in infants and for NITROGEN balance in adults. It is a precursor of INDOLE ALKALOIDS in plants. It is a precursor of SEROTONIN (hence its use as an antidepressant and sleep aid). It can be a precursor to NIACIN, albeit inefficiently, in mammals.. tryptophan : An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.	2	1	erythrose 4-phosphate/phosphoenolpyruvate family amino acid; L-alpha-amino acid zwitterion; L-alpha-amino acid; proteinogenic amino acid; tryptophan zwitterion; tryptophan	antidepressant; Escherichia coli metabolite; human metabolite; micronutrient; mouse metabolite; nutraceutical; plant metabolite; Saccharomyces cerevisiae metabolite
benzoyl chloride benzoyl chloride: potential carcinogens in manufacturing process. benzoyl chloride : An acyl chloride consisting of benzene in which a hydrogen is replaced by an acyl chloride group. It is an important chemical intermediate for the manufacture of other chemicals, dyes, perfumes, herbicides and pharmaceuticals.	2.03	1	acyl chloride; benzenes	carcinogenic agent
thiamine pyrophosphate Thiamine Pyrophosphate: The coenzyme form of Vitamin B1 present in many animal tissues. It is a required intermediate in the PYRUVATE DEHYDROGENASE COMPLEX and the KETOGLUTARATE DEHYDROGENASE COMPLEX.. thiamine(1+) diphosphate chloride : An organic chloride salt of thiamine(1+) diphosphate.	2.21	1	organic chloride salt; vitamin B1
1,3-propanediol propane-1,3-diol : The simplest member of the class of propane-1,3-diols, consisting of propane in which one hydrogen from each methyl group is substituted by a hydroxy group. A colourless, viscous, water-miscible liquid with a high (210degreeC) boiling point, it is used in the synthesis of certain polymers and as a solvent and antifreeze.	1.93	1	propane-1,3-diols	metabolite; protic solvent
xylose xylopyranose: structure in first source	3.83	10	D-xylose
lyxonic acid lyxonic acid: an aldonic acid. D-lyxonic acid : A lyxonic acid that has D-configuration.. lyxonic acid : A pentonic acid resulting from the formal oxidation of the aldehyde group of lyxose to the corresponding carboxylic acid.	2.11	1	lyxonic acid	plant metabolite
lignin Lignin: The most abundant natural aromatic organic polymer found in all vascular plants. Lignin together with cellulose and hemicellulose are the major cell wall components of the fibers of all wood and grass species. Lignin is composed of coniferyl, p-coumaryl, and sinapyl alcohols in varying ratios in different plant species. (From Merck Index, 11th ed). lignin : A polyphenylpropanoid derived from three monolignol monomers: trans-p-coumaryl alcohol, coniferol and trans-sinapyl alcohol. There is extensive cross-linking and no defined primary structure.	2.61	2
arabinose [no description available]	2.01	1	L-arabinose	Escherichia coli metabolite; mouse metabolite
nadp [no description available]	2.31	1
D-xylonic acid xylonic acid: sugar acid that can be obtained by the complete oxidation of xylose. xylonic acid : A pentonic acid resulting from the formal oxidation of the aldehyde group of aldehydo-xylose to the corresponding carboxylic acid.. D-xylonic acid : A xylonic acid with D configuration.	2.21	1	xylonic acid
nad NAD(1-) : An anionic form of nicotinamide adenine dinucleotide arising from deprotonation of the two OH groups of the diphosphate moiety.	2.66	2	organophosphate oxoanion	cofactor; human metabolite; hydrogen acceptor; Saccharomyces cerevisiae metabolite
cellulose DEAE-Cellulose: Cellulose derivative used in chromatography, as ion-exchange material, and for various industrial applications.	2.21	1	glycoside
phosphatidylcholines Phosphatidylcholines: Derivatives of PHOSPHATIDIC ACIDS in which the phosphoric acid is bound in ester linkage to a CHOLINE moiety.	2	1	1,2-diacyl-sn-glycero-3-phosphocholine

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	2.08	1	0

1,3,4-butanetriol

Description

Cross-References

Synonyms (59)

Roles (2)

Drug Classes (1)

Protein Targets (3)

Potency Measurements

Bioassays (3)

Research

Studies (26)

Market Indicators

Research Demand Index: 17.17

Study Types