Exact Mass: 130.1596
Exact Mass Matches: 130.1596
Found 220 metabolites which its exact mass value is equals to given mass value 130.1596,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(4-Aminobutyl)guanidine
Agmatine ((4-aminobutyl)guanidine, NH2-CH2-CH2-CH2-CH2-NH-C(-NH2)(=NH)) is the decarboxylation product of the amino acid arginine and is an intermediate in polyamine biosynthesis. It is a putative neurotransmitter. It is synthesized in the brain, stored in synaptic vesicles, accumulated by uptake, released by membrane depolarization, and inactivated by agmatinase. Agmatine binds to 2-adrenergic receptor and imidazoline binding sites, and blocks NMDA receptors and other cation ligand-gated channels. Agmatine inhibits nitric oxide synthase (NOS), and induces the release of some peptide hormones. Treatment with exogenous agmatine exerts neuroprotective effects in animal models of neurotrauma. -- Wikipedia; Agmatine ((4-aminobutyl)guanidine, NH2-CH2-CH2-CH2-CH2-NH-C(-NH2)(=NH)) is the decarboxylation product of the amino acid arginine and is an intermediate in polyamine biosynthesis. It is discussed as a putative neurotransmitter. It is synthesized in the brain, stored in synaptic vesicles, accumulated by uptake, released by membrane depolarization, and inactivated by agmatinase. Agmatine binds to ?2-adrenergic receptor and imidazoline binding sites, and blocks NMDA receptors and other cation ligand-gated channels. Agmatine inhibits nitric oxide synthase (NOS), and induces the release of some peptide hormones. Agmatine is found in many foods, some of which are fruits, kohlrabi, carob, and burdock. Agmatine ((4-aminobutyl)guanidine, NH2-CH2-CH2-CH2-CH2-NH-C(-NH2)(=NH)) is the decarboxylation product of the amino acid arginine and is an intermediate in polyamine biosynthesis. It is a putative neurotransmitter. It is synthesized in the brain, stored in synaptic vesicles, accumulated by uptake, released by membrane depolarization, and inactivated by agmatinase. Agmatine binds to 2-adrenergic receptor and imidazoline binding sites, and blocks NMDA receptors and other cation ligand-gated channels. Agmatine inhibits nitric oxide synthase (NOS), and induces the release of some peptide hormones. Treatment with exogenous agmatine exerts neuroprotective effects in animal models of neurotrauma. Agmatine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=306-60-5 (retrieved 2024-07-01) (CAS RN: 306-60-5). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
N-Acetylputrescine
N-Acetylputrescine is a polyamine commonly occurring excreted in normal human urine (PMID 7775374). N-Acetylputrescine is the most abundant of all polyamines both in normal individuals and in patients with leukemia (PMID 9464484). N-Acetylputrescine is the N-acetylated form of the naturally occurring polyamine called putrescine. The N-acetylation is mediated by the enzyme diamine N-acetyltransferase. Putrescine is related to cadaverine (another polyamine). Both are produced by the breakdown of amino acids in living and dead organisms and both are toxic in large doses. Putrescine and cadaverine are largely responsible for the foul odor of putrefying flesh, but also contribute to the odor of such processes as bad breath and bacterial vaginosis. Putrescine is also found in semen. Putrescine attacks s-adenosyl methionine and converts it to spermidine. Spermidine in turn attacks another s-adenosyl methionine and converts it to spermine. Putrescine is synthesized in small quantities by healthy living cells by the action of ornithine decarboxylase. N-Acetylputrescine can be found in Corynebacterium as well (PMID:25919117). N-Acetylputrescine is a polyamine commonly occurring excreted in normal human urine (PMID 7775374). N-Acetylputrescine is the most abundant of all polyamines both in normal individuals and in patients with leukemia (PMID 9464484). N-Acetylputrescine is the N-acetylated form of the naturally occurring polyamine called putrescine. The N-acetylation is mediated by the enzyme diamine N-acetyltransferase. Putrescine is related to cadaverine (another polyamine). Both are produced by the breakdown of amino acids in living and dead organisms and both are toxic in large doses. Putrescine and cadaverine are largely responsible for the foul odor of putrefying flesh, but also contribute to the odor of such processes as bad breath and bacterial vaginosis. Putrescine is also found in semen. Putrescine attacks s-adenosyl methionine and converts it to spermidine. Spermidine in turn attacks another s-adenosyl methionine and converts it to spermine. Putrescine is synthesized in small quantities by healthy living cells by the action of ornithine decarboxylase. [HMDB] Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID A051
N-Nitrosodipropylamine
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3456 D009676 - Noxae > D002273 - Carcinogens
(S)-3-Octanol
Present in Mentha subspecies oils, sage, soybeans, porcini (Boletus edulis), wines and other foodstuffs. Flavouring agent. 3-Octanol is found in many foods, some of which are mushrooms, soy bean, rosemary, and alcoholic beverages. 3-Octanol is found in alcoholic beverages. 3-Octanol is present in Mentha species oils, sage, soybeans, porcini (Boletus edulis), wines and other foodstuffs. 3-Octanol is a flavouring agent
Octanol
1-Octanol, also known as octan-1-ol, is the organic compound with the molecular formula CH3(CH2)7OH. It is a fatty alcohol. Many other isomers are also known generically as octanols. Octanol is mainly produced industrially by the oligomerization of ethylene using triethylaluminium followed by oxidation of the alkylaluminium products. This route is known as the Ziegler alcohol synthesis. Octanol also occurs naturally in the form of esters in some essential oils. Octanol and water are immiscible. The distribution of a compound between water and octanol is used to calculate the partition coefficient (logP) of that molecule. Water/octanol partitioning is a good approximation of the partitioning between the cytosol and lipid membranes of living systems. Octanol is a colorless, slightly viscous liquid used as a defoaming or wetting agent. It is also used as a solvent for protective coatings, waxes, and oils, and as a raw material for plasticizers. It is also one of many compounds derived from tobacco and tobacco smoke and shown to increase the permeability of the membranes of human lung fibroblasts (PMID 7466833). Occurs in the form of esters in some essential oils. Flavouring agent. 1-Octanol is found in many foods, some of which are common wheat, lime, tea, and corn. D012997 - Solvents 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2]. 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2].
xi-2-Ethyl-1-hexanol
Xi-2-ethyl-1-hexanol, also known as 2-ethylhexyl alcohol or octyl alcohol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, xi-2-ethyl-1-hexanol is considered to be a fatty alcohol lipid molecule. Xi-2-ethyl-1-hexanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Xi-2-ethyl-1-hexanol can be found in a number of food items such as tea, cereals and cereal products, fats and oils, and alcoholic beverages, which makes xi-2-ethyl-1-hexanol a potential biomarker for the consumption of these food products. Xi-2-ethyl-1-hexanol can be found primarily in feces and saliva. Xi-2-ethyl-1-hexanol exists in all eukaryotes, ranging from yeast to humans. 2-Ethyl-1-hexanol, also known as 2-ethylhexyl alcohol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, 2-ethyl-1-hexanol is considered to be a fatty alcohol lipid molecule. 2-ethyl-1-hexanol is practically insoluble in water. 2-Ethyl-1-hexanol can be found in a number of food items such as tea, cereals and cereal products, fats and oils, and alcoholic beverages. 2-Ethyl-1-hexanol exists in all eukaryotes, ranging from yeast to humans and in mammals it can be found primarily in feces and saliva.
4-Trimethylammoniobutanal
4-Trimethylammoniobutanal is a substrate for Serine hydroxymethyltransferase (cytosolic), Serine hydroxymethyltransferase (mitochondrial), Aldehyde dehydrogenase (mitochondrial), Fatty aldehyde dehydrogenase, 4-trimethylaminobutyraldehyde dehydrogenase, Aldehyde dehydrogenase (dimeric NADP-preferring), Aldehyde dehydrogenase family 7 member A1, Aldehyde dehydrogenase 1A3 and Aldehyde dehydrogenase X (mitochondrial). [HMDB] 4-Trimethylammoniobutanal is a substrate for Serine hydroxymethyltransferase (cytosolic), Serine hydroxymethyltransferase (mitochondrial), Aldehyde dehydrogenase (mitochondrial), Fatty aldehyde dehydrogenase, 4-trimethylaminobutyraldehyde dehydrogenase, Aldehyde dehydrogenase (dimeric NADP-preferring), Aldehyde dehydrogenase family 7 member A1, Aldehyde dehydrogenase 1A3 and Aldehyde dehydrogenase X (mitochondrial).
Tetraethylammonium
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
(±)-2-Octanol
2-octanol, also known as 2-octanol, (S)-isomer or 1-methyl-1-heptanol, is a member of the class of compounds known as fatty alcohols. Fatty alcohols are aliphatic alcohols consisting of a chain of a least six carbon atoms. Thus, 2-octanol is considered to be a fatty alcohol lipid molecule. 2-octanol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). 2-octanol is an earthy, fat, and fresh tasting compound found in common buckwheat, corn, and ginger, which makes 2-octanol a potential biomarker for the consumption of these food products. 2-octanol is used such as or as a raw material in various applications: flavors and fragrances, paints and coatings, inks, adhesives, home care, lubricants and fuels. 2-Octanol can be a biobased alternative of 2-ethylhexanol and its derivates in numerous applications . (±)-2-Octanol, also known as 2-octanol or 2-hydroxyoctane, belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms. (±)-2-Octanol is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Thus, (±)-2-octanol is considered to be a fatty alcohol lipid molecule
(S)-3-Ethyl-4-methylpentanol
(S)-3-Ethyl-4-methylpentanol belongs to the family of Primary Alcohols. These are compounds comprising the primary alcohol functional group, with the general strucuture RCOH (R=alkyl, aryl)
2-Ethyl-4-methyl-1-pentanol
2-Ethyl-4-methyl-1-pentanol is an anesthetic agents, anti-allergic agents, antibiotic and antimicrobial Agents.
4-Methyl-2-heptanol
4-Methyl-2-heptanol is a constituent of Osmanthus fragrans (sweet osmanthus) Constituent of Osmanthus fragrans (sweet osmanthus).
2,3,4-Trimethyl-3-pentanol
2,3,4-Trimethyl-3-pentanol is found in alcoholic beverages. 2,3,4-Trimethyl-3-pentanol is a flavouring agent for foods. 2,3,4-Trimethyl-3-pentanol is present in muscadine grapes, wines and chinese jujube fruit (Zizyphus jujuba 2,3,4-Trimethyl-3-pentanol is a flavouring agent for foods. It is found in muscadine grapes, wines and chinese jujube fruit (Zizyphus jujuba).
(2xi,4xi)-2,4-Dimethyl-1-hexanol
(2xi,4xi)-2,4-Dimethyl-1-hexanol is found in alcoholic beverages. Aroma and taste producing constituent of wine. Aroma and taste producing constituent of wine. (2xi,4xi)-2,4-Dimethyl-1-hexanol is found in alcoholic beverages.
N(1)-isopropyl-2-methylpropan-1,2-diamine
N(1)-isopropyl-2-methylpropan-1,2-diamine, also known as 2-amino-1,1-Dimethylethylisopropylamine, is classified as a member of the Dialkylamines. Dialkylamines are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen. N(1)-isopropyl-2-methylpropan-1,2-diamine is considered to be soluble (in water) and basic
2-Propyl-1-pentanol
2-propyl-1-pentanol is classified as a member of the primary alcohols. Primary alcohols are compounds comprising the primary alcohol functional group, with the general structure RCOH (R=alkyl, aryl). 2-propyl-1-pentanol is considered to be a practically insoluble (in water) and an extremely weak acidic compound. 2-propyl-1-pentanol can be found in feces.
N-acetylputrescine
An N-monoacetylalkane-alpha,omega-diamine that is the N-monoacetyl derivative of putrescine.
Octanol
D012997 - Solvents 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2]. 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2].
FOH 8:0
D012997 - Solvents 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2]. 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2].
(2E)-3-methyl-3-(methylamino)butan-2-one oxime(SALTDATA: FREE)
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecadeuterio-8-deuteriooxyoctane
N~1~,N~1~,N~3~-trimethyl-beta-alaninamide(SALTDATA: FREE)
1H-PYRROLO[2,3-B]PYRIDIN-4-YLTRIFLUOROMETHANESULFONATE
3-Methoxy-3-methylhexane
An ether consists of a hexane chain substituted by a methoxy and a methyl group at position 3.
1-octanol
D012997 - Solvents 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2]. 1-Octanol (Octanol), a saturated fatty alcohol, is a T-type calcium channels (T-channels) inhibitor with an IC50 of 4 μM for native T-currents[1]. 1-Octanol is a highly attractive biofuel with diesel-like properties[2].
2-Ethylhexanol
A primary alcohol that is hexan-1-ol substituted by an ethyl group at position 2.
N(1)-isopropyl-2-methylpropan-1,2-diamine
A primary aliphatic amine that is propan-1,2-diamine substituted by an isopropyl group at N(1) and a methyl group at position 2. Metabolite observed in cancer metabolism.
6-methylheptan-1-ol
A primary alcohol that is heptane which is substituted by a methyl group at position 6 and a hydroxy group at position 1.
octan-3-ol
A secondary alcohol that is octane substituted by a hydroxy group at position 3.
octan-1-aminium
An alkylaminium that is the conjugate acid of octan-1-amine resulting from the protonation of the primary amino group; Major species at pH 7.3.
octan-4-ol
A secondary alcohol that is octane substituted by a hydroxy group at position 4.
2,2,4-Trimethylpentanol
{"Ingredient_id": "HBIN003663","Ingredient_name": "2,2,4-Trimethylpentanol","Alias": "Pentanol, 2,2,4-trimethyl-; ST5409827; InChI=1/C8H18O/c1-7(2)5-8(3,4)6-9/h7,9H,5-6H2,1-4H; 1-Pentanol, 2,2,4-trimethyl-; AI3-26041; NSC35410; 4-01-00-01795 (Beilstein Handbook Reference); 123-44-4; EINECS 204-628-8; WLN: Q1X1 & 1 & 1Y1 & 1; 1331-40-4; BRN 1697386; 2,2,4-Trimethylpentan-1-ol; NSC 35410; ZINC01667607; 2,2,4-Trimethyl-1-pentanol","Ingredient_formula": "C8H18O","Ingredient_Smile": "CC(C)CC(C)(C)CO","Ingredient_weight": "130.23 g/mol","OB_score": "102.3316555","CAS_id": "1331-40-4","SymMap_id": "SMIT12518","TCMID_id": "NA","TCMSP_id": "MOL011647","TCM_ID_id": "NA","PubChem_id": "31258","DrugBank_id": "NA"}
