Exact Mass: 168.0997686
Exact Mass Matches: 168.0997686
Found 500 metabolites which its exact mass value is equals to given mass value 168.0997686,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pyridoxamine
Pyridoxamine is one form of vitamin B6. Chemically it is based on a pyridine ring structure, with hydroxyl, methyl, aminomethyl, and hydroxymethyl substituents. It differs from pyridoxine by the substituent at the 4-position. The hydroxyl at position 3 and aminomethyl group at position 4 of its ring endow pyridoxamine with a variety of chemical properties, including the scavenging of free radical species and carbonyl species formed in sugar and lipid degradation and chelation of metal ions that catalyze Amadori reactions. Pyridoxamine, also known as PM, belongs to the class of organic compounds known as pyridoxamine 5-phosphates. These are heterocyclic aromatic compounds containing a pyridoxamine that carries a phosphate group at the 5-position. Within humans, pyridoxamine participates in a number of enzymatic reactions. In particular, pyridoxamine can be converted into pyridoxal; which is mediated by the enzyme pyridoxine-5-phosphate oxidase. In addition, pyridoxamine can be converted into pyridoxamine 5-phosphate; which is catalyzed by the enzyme pyridoxal kinase. Pyridoxamine also inhibits the formation of advanced lipoxidation endproducts during lipid peroxidation reactions by reaction with dicarbonyl intermediates. In humans, pyridoxamine is involved in vitamin B6 metabolism. Outside of the human body, pyridoxamine has been detected, but not quantified in several different foods, such as nutmegs, sparkleberries, fennels, turmerics, and swiss chards. Pyridoxamine inhibits the Maillard reaction and can block the formation of advanced glycation endproducts, which are associated with medical complications of diabetes. Pyridoxamine is hypothesized to trap intermediates in the formation of Amadori products released from glycated proteins, possibly preventing the breakdown of glycated proteins by disrupting the catalysis of this process through disruptive interactions with the metal ions crucial to the redox reaction. One research study found that pyridoxamine specifically reacts with the carbonyl group in Amadori products, but inhibition of post-Amadori reactions (that can lead to advanced glycation endproducts) is due in much greater part to the metal chelation effects of pyridoxamine. The 4-aminomethyl form of vitamin B6. During transamination of amino acids, pyridoxal phosphate is transiently converted into pyridoxamine phosphate. -- Pubchem; Pyridoxamine is one of the compounds that can be called vitamin B6, along with Pyridoxal and Pyridoxine. -- Wikipedia [HMDB]. Pyridoxamine is found in many foods, some of which are cucumber, fox grape, millet, and teff. Acquisition and generation of the data is financially supported in part by CREST/JST. D018977 - Micronutrients > D014815 - Vitamins KEIO_ID P116 Pyridoxylamine is an advanced glycation end production (AGEs) and lipoxidation end products (ALEs) inhibitor, to protect against diabetes-induced retinal vascular lesions.
Cyclo(deltaAla-L-Val)
A 2,5-diketopiperazine where the substituents are methylidene and (S)-isopropyl at positions 3 and 6 respectively.
(E,E,E)-1,3,5,11-Tridecatetraene-7,9-diyne
(3Z,5E,11E)-1,3,5,11-Tridecatetraene-7,9-diyne is found in fats and oils. (3Z,5E,11E)-1,3,5,11-Tridecatetraene-7,9-diyne is isolated from Carthamus tinctorius (safflower). Isolated from Carthamus tinctorius (safflower). (3Z,5E,11E)-1,3,5,11-Tridecatetraene-7,9-diyne is found in fats and oils and herbs and spices.
4-Methylbiphenyl
4-Methylbiphenyl is found in cocoa and cocoa products. 4-Methylbiphenyl is present in cocoa. 4-Methylbiphenyl is a flavouring ingredien Present in cocoa. Flavouring ingredient. 4-Methylbiphenyl is found in cocoa and cocoa products. 4-Methylbiphenyl is an endogenous metabolite.
2,4,6,8-Tridecatetrayne
2,4,6,8-Tridecatetrayne is found in mushrooms. Metabolite of Fistulina hepatica (beefsteak fungus
2-Hexylthiophene
2-Hexylthiophene is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") 2-Hexylthiophene is an extremely weak basic heteroaromatic compound. 2-Hexylthiophene can be used to modify and improve the molar absorption coefficient of ruthenium sensitizer[1]
Hexamethylene diisocyanate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D004785 - Environmental Pollutants > D000393 - Air Pollutants
3E,5E,11E-Trideca-1,3,5,11-tetraene-7,9-diyne
3e,5e,11e-trideca-1,3,5,11-tetraene-7,9-diyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. 3e,5e,11e-trideca-1,3,5,11-tetraene-7,9-diyne can be found in safflower, which makes 3e,5e,11e-trideca-1,3,5,11-tetraene-7,9-diyne a potential biomarker for the consumption of this food product.
3E,5Z,11E-Trideca-1,3,5,11-tetraene-7,9-diyne
3e,5z,11e-trideca-1,3,5,11-tetraene-7,9-diyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. 3e,5z,11e-trideca-1,3,5,11-tetraene-7,9-diyne can be found in safflower, which makes 3e,5z,11e-trideca-1,3,5,11-tetraene-7,9-diyne a potential biomarker for the consumption of this food product.
L,L-Cyclo(prolylalanyl)
Isolated from cocoa. L,L-Cyclo(prolylalanyl) is found in cocoa and cocoa products.
1,2,3,4-Tetrahydropyrrolo<2,3-c>-5H-azepine-1,5-diol|1,2,3,4-Tetrahydropyrrolo[2,3-c]-5H-azepine-1,5-diol
3-Butenoic acid, 3-methyl-, (3-methyl-3-butenyl) ester
5-Methyl-7-isopropyl-2,3-dioxabicyclo[2.2.2]octa-5-ene
(+)-(2E,4E)-4,6-dimethylocta-2,4-dienoic acid|(+)-(2E,4E,6S)-4,6-dimethylocta-2,4-dienoic acid|(S)-4,6-dimethyl-octa-2t,4t-dienoic acid|(S)-4,6-Dimethyl-octa-2t,4t-diensaeure
(1R,4R)-3,3,5-trimethyl-2-oxabicyclo[2.2.2]oct-5-en-4-ol
(E)-N-[(E)-2-butenoyl]-2-butenoylhydrazide|N,N-Dicrotonoyl-hydrazin|N,N-dicrotonoyl-hydrazine
(-)-dec-6t-en-4-yne-1,8-diol|Deca-4t-en-6-in-3,10-diol
1,10-oxy-beta-myrcene hydroxide|1,10-Oxy-??-myrcene hydroxide
3,3,7-Trimethyl-4,9-dioxatricyclo(3.3.1.02,7)nonane
(1R,4R,5R)-4,8-dimethyl-2-oxabicyclo[3.3.1]non-7-en-4-ol|(1R,5R,6R)-2,6-dimethyl-8-oxabicyclo[3.3.1]non-2-en-6-ol|2,9-epoxy-p-menth-6-en-8-ol|haplopappol
methyl non-8-ynoate|methyl-8-nonynoate|Non-8-insaeure-methylester|non-8-ynoic acid methyl ester
Chrysanthemic_acid
Chrysanthemic acid is a monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3. It has a role as a plant metabolite. It is a member of cyclopropanes and a monocarboxylic acid. It is functionally related to a cyclopropanecarboxylic acid. Chrysanthemic acid is a natural product found in Chrysanthemum indicum with data available. A monocarboxylic acid that is cyclopropanecarboxylic acid substituted by two methyl groups at position 2 and a 2-methylprop-1-en-1-yl group at position 3. D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins
FA 10:2
(2E,4E)-deca-2,4-dienoic acid is a polyunsaturated fatty acid that is decanoic acid (capric acid) which has been dehydrogenated to introduce double bonds with E configuration at positions 2-3 and 4-5. It is a medium-chain fatty acid and a polyunsaturated fatty acid. A polyunsaturated fatty acid that is capric acid which has been dehydrogenated to introduce double bonds with E configuration at positions 2-3 and 4-5.
pyridoxamine
A monohydroxypyridine that is pyridine substituted by a hydroxy group at position 3, an aminomethyl group at position 4, a hydroxymethyl group at position 5 and a methyl group at position 2. The 4-aminomethyl form of vitamin B6, it is used (in the form of the hydrochloride salt) for treatment of diabetic nephropathy. D018977 - Micronutrients > D014815 - Vitamins Pyridoxylamine is an advanced glycation end production (AGEs) and lipoxidation end products (ALEs) inhibitor, to protect against diabetes-induced retinal vascular lesions.
Pyridoxylamine
Pyridoxylamine is an advanced glycation end production (AGEs) and lipoxidation end products (ALEs) inhibitor, to protect against diabetes-induced retinal vascular lesions.
cis-(+)-chrysanthemic acid
(-)-cis-chrysanthemic acid
2-Hexylthiophene
2-Hexylthiophene is an extremely weak basic heteroaromatic compound. 2-Hexylthiophene can be used to modify and improve the molar absorption coefficient of ruthenium sensitizer[1]
Diosphenol
A cyclic monoterpene ketone that is cyclohex-2-en-1-one substituted by a hydroxy group at position 2, a methyl group at position 3 and an isopropyl group at position 6.
1,2-Campholide
A delta-lactone that is 2-oxabicyclo[3.2.1]octan-3-one substituted by methyl groups at positions 1, 8 and 8 respectively.
1,2-diamino-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one
1H-Imidazole-4-carboxylicacid,2-ethyl-5-methyl-,methylester(9CI)
(3Z)-3-[(4-chlorophenyl)methylidene]-8-phenyl-4-thia-1,6,7-triazabicyclo[3.3.0]octa-5,7-dien-2-one
1H-Imidazole-4-carboxylicacid,2,5-dimethyl-,ethylester(9CI)
1H-Imidazole-2-carboxylicacid,1-methyl-,1-methylethylester(9CI)
1-[Isopropyl(dimethyl)silyl]-1H-imidazole
C8H16N2Si (168.10826960000003)
1H-Imidazole-4-carboxylicacid,5-(1,1-dimethylethyl)-(9CI)
Pyrrolo[1,2-c]pyrimidine-1,4-dione, hexahydro-2-methyl- (9CI)
Limonene dioxide
(±)-limonene diepoxide is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (±)-limonene diepoxide is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (±)-limonene diepoxide can be found in wild celery, which makes (±)-limonene diepoxide a potential biomarker for the consumption of this food product.
1-(2,2,2-TRIFLUOROETHYL)PIPERAZINE
C6H11F3N2 (168.08742819999998)
1H-Imidazole-4-carboxylicacid,1-propyl-,methylester(9CI)
1-Methylbicyclo[4.1.0]heptane-7-carboxylic acid methyl ester
4-AMINO-5-ETHYL-1-METHYL-1H-PYRAZOLE-3-CARBOXYLIC ACID AMIDE
4-Methoxy-a,a-dimethyl-1,4-cyclohexadiene-1-methanol
1H-Imidazole-1-aceticacid,α-methyl-,ethylester,(alphaS)-(9CI)
3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid
3,4-DIMETHYL-CYCLOHEX-3-ENECARBOXYLIC ACID METHYL ESTER
Spiro[1-azabicyclo[2.2.1]heptane-3,5-oxazolidin]-2-one (9CI)
1H-Imidazole-4-carboxylicacid,1-(1,1-dimethylethyl)-(9CI)
1H-Imidazole-4-carboxylicacid,2-ethyl-,ethylester(9CI)
1H-Imidazole-4-carboxylicacid,1,1-dimethylethylester(9CI)
1H-Imidazole-2-methanol,1-ethenyl-alpha-ethoxy-(9CI)
1H-Imidazole-4-carboxylicacid,2-(1-methylethyl)-,hydrazide(9CI)
Propanamide, N-methyl-N-(5-methyl-4-isoxazolyl)- (9CI)
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-2-methyl-, (S)- (9CI)
1H-Pyrrole-2-carboxylicacid,3-amino-4-methyl-,ethylester(9CI)
(-)-trans-Chrysanthemic acid
5-Isopropyl-2-methyl-1-cyclopentenylcarboxylic acid
1H-Imidazole-4-carboxylic acid,2-(1,1-dimethylethyl)- (9CI)
1-ETHYL-3,5-DIMETHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
(3,3-DIMETHYL-6-OXOCYCLOHEX-1-EN-1-YL)BORONIC ACID
1H-1,4-Diazepine-2-carboxylicacid,2,3-dihydro-5,7-dimethyl-(9CI)
1,1-[(1R,2R)-1-Methyl-1,2-cyclopropanediyl]di(1-propanone)
1H-Pyrazole-3-carboxylicacid,5-propyl-,methylester(9CI)
4-Isoxazolecarboxamide,5-methyl-N-(1-methylethyl)-(9CI)
1-ISOPROPYL-3-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
1-ethyl-3-methyl-1H-pyrazole-4-carbohydrazide(SALTDATA: FREE)
(+)-iridodial lactol
An iridoid monoterpenoid that is 1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted by methyl groups at positions 4 and 7 and a hydroxy group at position 1 (the 1R,4aS,7S,7aR-stereoisomer).
2(1H)-Pyrimidinone, 1-(2-hydroxyethyl)-4,6-dimethyl-
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D009676 - Noxae > D000963 - Antimetabolites D007155 - Immunologic Factors
Cicrotoic Acid
C78276 - Agent Affecting Digestive System or Metabolism > C66913 - Cholagogues or Choleretic Agents
3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]heptan-2-one
2,4(1H,3H)-Pyrimidinedione, 5-(1,1-dimethylethyl)-
1H-Pyrazole, 3,5-dimethyl-1-(trimethylsilyl)-
C8H16N2Si (168.10826960000003)
3-Methyl-3-(4-methylpent-3-en-1-yl)oxirane-2-carbaldehyde
2-(3-Hydroxy-4-methoxyphenyl)ethanaminium
C9H14NO2+ (168.10244840000001)
(1R,2S,5R)-2-methyl-5-(1-oxopropan-2-yl)cyclopentane-1-carbaldehyde
1-(3,4-Dihydroxyphenyl)propan-2-ylazanium
C9H14NO2+ (168.10244840000001)
[(1R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]azanium
C9H14NO2+ (168.10244840000001)
2-methyl-5-(prop-1-en-2-yl)cyclohex-1-ene-1-peroxol
Paeonilactinone
A cyclic monoterpene ketone that is bicyclo[3.1.1]heptan-2-one which is substituted at positions 4, 6, and 6 by hydroxymethyl, methyl, and methyl groups (the 1R,4S,5R stereoisomer). It has been found in Japanese Paeoniae Radix, which has been used in various Chinese medicinal preparations as an anodyne, sedative, antispasmodic, and astringent.
2(3H)-Benzofuranone, hexahydro-3a,7a-dimethyl-, cis-
(4R)-1-methyl-4-(prop-1-en-2-yl)cyclohex-2-ene-1-peroxol
(5S)-2-methyl-5-(prop-1-en-2-yl)cyclohex-2-ene-1-peroxol
(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanoic acid
A monocarboxylic acid that is propionic acid which is substituted at position 2 by a 4-methylcyclohex-3-en-1-yl group (the R,R stereoisomer). A secondary metabolite with antifungal activity obtained from the endophytic fungus Pestalotiopsis foedan, obtained from the branch of the upriver orange mangrove, Bruguiera sexangula.
(-)-2,6,6-Trimethyl-2(R)-vinyltetrahydropyran-5-one
ASCARIDOLE
A p-menthane monoterpenoid that is p-menth-2-ene with a peroxy group across position 1 to 4. D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(+)-trans-Chrysanthemic acid
A trans-chrysanthemic acid in which both stereocentres have R configuration.
(4aS,7S,7aR)-4,7-dimethyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-ol
(1S)-6-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Geranate
A polyunsaturated fatty acid that is octa-2,6-dienoic acid bearing two methyl substituents at positions 3 and 7 (the 2E-isomer).
(4R,7R)-4-isopropenyl-7-methyloxepan-2-one
3-methoxytyraminium
A primary ammonium ion that is the conjugate acid of 3-methoxytyramine resulting from the protonation of the primary amino group; Major microspecies at pH 7.3.
Hexamethylene diisocyanate
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D003432 - Cross-Linking Reagents D004785 - Environmental Pollutants > D000393 - Air Pollutants
2-Cyclohexen-1-one, 2-hydroxy-6-methyl-3-(1-methylethyl)-
(1S,4R,6S)-1,3,3-Trimethyl-6-hydroxybicyclo[2.2.1]heptane-2-one
(1S,4R,6R)-1,3,3-Trimethyl-6-hydroxybicyclo[2.2.1]heptane-2-one
jasmolactone
A member of the class of 2-pyranones that is tetrahydro-2H-pyran-2-one substituted by a pent-2-en-5-yl group at position 6. It is used as a flavouring agent and as an ingredient in perfumes.
(E)-jasmolactone
A jasmolactone in which the double bond adopts a trans-configuration.
(Z)-jasmolactone
A jasmolactone in which the double bond adopts a cis-configuration.
cis-cis-nepetalactol
A cyclopentapyran that is (4aR,7aS)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by a hydroxy group and at positions 4 and 7 by methyl groups (the 4aR,7S,7aS)-diastereomer.
4-methoxytyraminium
A primary ammonium ion that is the conjugate acid of 4-methoxytyramine resulting from the protonation of the primary amino group; major microspecies at pH 7.3.
D-synephrine(1+)
An organic cation that is the conjugate acid of D-synephrine, arising from protonation of the secondary amino group; major species at pH 7.3.
(3r,4r)-3-hydroxy-4-isopropylcyclohex-1-ene-1-carbaldehyde
1-[(2s)-3,3-dimethyloxiran-2-yl]-2,2-dimethylbut-3-en-1-one
(6r)-2-hydroxy-6-isopropyl-3-methylcyclohex-2-en-1-one
n-(1-hydroxybut-2-en-1-ylidene)but-2-enehydrazonic acid
(1s,4r,7r)-7-isopropyl-5-methyl-2,3-dioxabicyclo[2.2.2]oct-5-ene
(5s)-5-hydroxy-3,7,7-trimethylcyclohept-2-en-1-one
(1s,3r,5s)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane-3-peroxol
1-hydroxy-8-methyl-3h,6h,7h,8h,8ah-pyrrolo[1,2-a]pyrazin-4-one
(5r)-2-(2-hydroxypropan-2-yl)-5-methylcyclohex-2-en-1-one
4-isopropyl-7-methyl-3,8-dioxatricyclo[5.1.0.0²,⁴]octane
2-(hydroxymethyl)-7,7-dimethylbicyclo[3.1.1]hept-2-en-6-ol
(1r,4z)-4-(2-hydroxyethylidene)-6,6-dimethylcyclohex-2-en-1-ol
(5s)-5-methyl-3-[(2s)-2-methylbutyl]-5h-furan-2-one
(3s,4s)-3-hydroxy-4-isopropylcyclohex-1-ene-1-carbaldehyde
1-(2-propenyl)-naphthalene
{"Ingredient_id": "HBIN000965","Ingredient_name": "1-(2-propenyl)-naphthalene","Alias": "NA","Ingredient_formula": "C13H12","Ingredient_Smile": "C=CCC1=CC=CC2=CC=CC=C21","Ingredient_weight": "168.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "34142","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "17217","DrugBank_id": "NA"}