Exact Mass: 282.2096
Exact Mass Matches: 282.2096
Found 500 metabolites which its exact mass value is equals to given mass value 282.2096,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Petroselinic acid
Petroselinic acid, also known as (6Z)-Octadecenoic acid, is an 18-carbon unsaturated fatty acid that occurs naturally in several animal and vegetable fats and oils. It is a white powder and is commercially available. In chemical terms, petroselinic acid is classified as a monounsaturated omega-12 fatty acid, abbreviated as 18:1 cis-6. Petroselinic acid is a positional isomer of oleic acid. The term "petroselinic" means related to, or derived from, oil of Petroselinum, or oil of parsley. Petroselinic acid was first isolated from parsley seed oil in 1909. Petroselinic acid occurs in high amounts in plants in the Apiaceae family (a family of mostly aromatic flowering plants named after the genus Apium and commonly known as the celery, carrot or parsley family), Araliaceae (a family of flowering plants composed of about 43 genera and around 1500 species consisting of primarily woody plants and some herbaceous plants), Griselinia (Griseliniaceae) and in Garryaceae. The occurrence of petroselinic acid as the major fatty acid is used in chemosystematics as a proof of a close relationship of several families within the Apiales as well as within the Garryales. Petroselonic acid has been found in coriander (Coriandrum sativum) and cumin (Cuminum cyminum) and caraway seeds. In addition, petroselinic acid has been found in minor amounts in several fats of plant and animal origin, including in human sources. Petroselinic acid is an important oleochemical material for the food, cosmetics, chemistry and pharmaceutical industry (PMID: 16604360) as it can be easily processed into lauric and adipinic acid. Petroselinic acid is the cis-isomer of octadec-6-enoic acid, a long-chain fatty acid. It has a role as a plant metabolite. It is a conjugate acid of a petroselinate. Petroselinic acid is a natural product found in Staphisagria macrosperma, Eleutherococcus sessiliflorus, and other organisms with data available. Found in umbelliferous seed oils e.g. major constituent of oils of parsley, ivy, fennel, celery and others [DFC]. Petroselinic acid, a positional isomer of oleic acid, is isolated from the vegetable oil of Coriandrum sativum fruits. Petroselinic acid, a positional isomer of oleic acid, is isolated from the vegetable oil of Coriandrum sativum fruits.
Oleic acid
Oleic acid (or 9Z)-Octadecenoic acid) is an unsaturated C-18 or an omega-9 fatty acid that is the most widely distributed and abundant fatty acid in nature. It occurs naturally in various animal and vegetable fats and oils. It is an odorless, colorless oil, although commercial samples may be yellowish. The name derives from the Latin word oleum, which means oil. Oleic acid is the most abundant fatty acid in human adipose tissue, and the second most abundant in human tissues overall, following palmitic acid. Oleic acid is a component of the normal human diet, being a part of animal fats and vegetable oils. Triglycerides of oleic acid represent the majority of olive oil (about 70\\\\%). Oleic acid triglycerides also make up 59–75\\\\% of pecan oil, 61\\\\% of canola oil, 36–67\\\\% of peanut oil, 60\\\\% of macadamia oil, 20–80\\\\% of sunflower oil, 15–20\\\\% of grape seed oil, sea buckthorn oil, 40\\\\% of sesame oil, and 14\\\\% of poppyseed oil. High oleic variants of plant sources such as sunflower (~80\\\\%) and canola oil (70\\\\%) also have been developed. consumption has been associated with decreased low-density lipoprotein (LDL) cholesterol, and possibly with increased high-density lipoprotein (HDL) cholesterol, however, the ability of oleic acid to raise HDL is still debated. Oleic acid may be responsible for the hypotensive (blood pressure reducing) effects of olive oil that is considered a health benefit. Oleic acid is used in manufacturing of surfactants, soaps, plasticizers. It is also used as an emulsifying agent in foods and pharmaceuticals. Oleic acid is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. Major constituent of plant oils e.g. olive oil (ca. 80\\\\%), almond oil (ca. 80\\\\%) and many others, mainly as glyceride. Constituent of tall oiland is also present in apple, melon, raspberry oil, tomato, banana, roasted peanuts, black tea, rice bran, cardamon, plum brandy, peated malt, dairy products and various animal fats. Component of citrus fruit coatings. Emulsifying agent in foods CONFIDENCE standard compound; INTERNAL_ID 290 COVID info from WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2]. Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2].
Vaccenic acid
Vaccenic acid is a naturally occurring trans fatty acid. It is the predominant kind of trans-fatty acid found in human milk, in the fat of ruminants, and in dairy products such as milk, butter, and yogurt. Trans fat in human milk may depend on trans fat content in food. Its IUPAC name is (11E)-11-octadecenoic acid, and its lipid shorthand name is 18:1 trans-11. The name was derived from the Latin vacca (cow). Vaccenic acid belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Vaccenic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Occurs in small proportions in ruminant fats (e.g., butter) via biohydrogenation of dietary polyene acids. Vaccenic acid is found in many foods, some of which are almond, romaine lettuce, butter, and pak choy. trans-Vaccenic acid is a precursor for the synthesis of saturated fatty acid in the rumen and of conjugated linoleic acid (CLA) at the tissue level. trans-Vaccenic acid is a precursor for the synthesis of saturated fatty acid in the rumen and of conjugated linoleic acid (CLA) at the tissue level.
Vitamin A2 aldehyde
Vitamin A2 aldehyde is found in fishes. Vitamin A2 aldehyde is a constituent fish of liver oils D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Constituent fish of liver oils. Vitamin A2 aldehyde is found in fishes.
(-)-Quebrachamine
(-)-Quebrachamine is an alkaloid from Aspidosperma quebracho-blanco (quebracho
FA 18:1
trans-Vaccenic acid is a precursor for the synthesis of saturated fatty acid in the rumen and of conjugated linoleic acid (CLA) at the tissue level. trans-Vaccenic acid is a precursor for the synthesis of saturated fatty acid in the rumen and of conjugated linoleic acid (CLA) at the tissue level.
6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester
Elaidic acid
Elaidic acid, also known as (9E)-octadecenoic acid, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Elaidic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Elaidic acid is the major trans fat found in hydrogenated vegetable oils and occurs in small amounts in caprine and bovine milk (very roughly 0.1 \\\\% of the fatty acids) and some meats. It is the trans isomer of oleic acid. The name of the elaidinization reaction comes from elaidic acid. Elaidic acid increases CETP activity, which in turn raises VLDL and lowers HDL cholesterol (Wikipedia). COVID info from PDB, Protein Data Bank Minor constituent of plant oils Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Elaidic acid is the major trans fat found in hydrogenated vegetable oils and can be used as a pharmaceutical solvent. Elaidic acid is the major trans fat found in hydrogenated vegetable oils and can be used as a pharmaceutical solvent.
2-hydroxydesipramine
2-hydroxydesipramine is a metabolite of desipramine. Desipramine (also known as desmethylimipramine) is a tricyclic antidepressant (TCA). It inhibits the reuptake of norepinephrine and to a lesser extent serotonin. It is used to treat depression, but not considered a first line treatment since the introduction of SSRI antidepressants. Desipramine is an active metabolite of imipramine. It is sold under the brand names Norpramin and Pertofane. Along with other tricyclics, desipramine has found use in treating neuropathic pain. (Wikipedia) D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
Ethyl 9-hexadecenoate
Ethyl 9-hexadecenoate belongs to the family of Fatty Acid Esters. These are carboxylic ester derivatives of a fatty acid.
Hexaethylene glycol
Hexaethylene glycol belongs to the class of organic compounds known as polyethylene glycols. These are oligomers or polymers of ethylene oxide, with the general formula (C2H4O)n (with n>=3). COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Juvocimene 1
Juvocimene 1 is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. Juvocimene 1 is practically insoluble (in water) and an extremely weak basic compound (based on its pKa). Juvocimene 1 can be found in herbs and spices and sweet basils (Ocimum basilicum) and is a potential biomarker for the consumption of these food products. Constituent of the oil of Ocimum basilicum (sweet basil). Juvocimene 1 is found in sweet basil and herbs and spices.
Lactapiperanol C
Lactapiperanol A is found in mushrooms. Lactapiperanol A is a constituent of Lactarius piperatus. Constituent of Lactarius piperatus. Lactapiperanol C is found in mushrooms.
(Z)-13-Octadecenoic acid
(Z)-13-Octadecenoic acid is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. (Z)-13-octadecenoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Within the cell, (Z)-13-octadecenoic acid is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. (Z)-13-Octadecenoic acid is a constituent of various lipid fractions from fish and some cooked foods.
(+)-Aspidospermidine
(+)-Aspidospermidine is an alkaloid from Aspidosperma quebracho-blanco (quebracho
7Z-octadecenoic acid
7Z-octadecenoic acid, also known as 7Z-Octadecenoate, is classified as a member of the Long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. 7Z-octadecenoic acid is considered to be practically insoluble (in water) and acidic. 7Z-octadecenoic acid is a fatty acid lipid molecule
(6E,8R,10Z)-8-hydroxy-3-oxohexadecadienoic acid
(6E,8R,10Z)-8-hydroxy-3-oxohexadecadienoic acid, also known as 3-oxo-8(R)-hydroxy-hexadeca-6E,10Z-dienoate, is considered to be a practically insoluble (in water) and relatively neutral molecule.
(6E,8S,10Z)-8-hydroxy-3-oxohexadecadienoic acid
(6E,8S,10Z)-8-hydroxy-3-oxohexadecadienoic acid, also known as 3-oxo-8(S)-hydroxy-hexadeca-6E,10Z-dienoate, is considered to be a practically insoluble (in water) and relatively neutral molecule.
Octadec-9-enoic Acid
Octadec-9-enoic Acid, also known as 18:1, N-9 or Delta(9)-Octadecenoic acid, is classified as a member of the Long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Octadec-9-enoic Acid is considered to be practically insoluble (in water) and acidic. Octadec-9-enoic Acid can be synthesized from octadec-9-ene. It is also a parent compound for other transformation products, including but not limited to, 1-octadec-9-enoylglycero-3-phosphate, N-(2-hydroxy-1-methylethyl)-9-octadecenamide, and sterculic acid
cis-Vaccenic acid
cis-11-Octadecenoic acid, also known as (Z)-octadec-11-enoic acid or asclepic acid, belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. cis-11-Octadecenoic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. Occurs in small proportions in ruminant fats (e.g., butter) via biohydrogenation of dietary polyene acids. Vaccenic acid is found in many foods, some of which are almond, romaine lettuce, butter, and pak choy. trans-Vaccenic acid is a precursor for the synthesis of saturated fatty acid in the rumen and of conjugated linoleic acid (CLA) at the tissue level. trans-Vaccenic acid is a precursor for the synthesis of saturated fatty acid in the rumen and of conjugated linoleic acid (CLA) at the tissue level.
Fumagillol
Fumagillol is a direct precursor of fumagillin. Fumagillin, as an antimicrobial agent, is a potent and selective inhibitor of angiogenesis[1].
7-Octadecenoic acid
7-octadecenoic acid is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, 7-octadecenoic acid is considered to be a fatty acid lipid molecule. 7-octadecenoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 7-octadecenoic acid can be found in dill, which makes 7-octadecenoic acid a potential biomarker for the consumption of this food product.
trans-10-Octadecenoic acid
10-octadecenoic acid, also known as isooleic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, 10-octadecenoic acid is considered to be a fatty acid lipid molecule. 10-octadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 10-octadecenoic acid can be found in peanut, which makes 10-octadecenoic acid a potential biomarker for the consumption of this food product.
Melonin
Melonin is a member of the class of compounds known as carbazoles. Carbazoles are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring. Melonin is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Melonin can be found in muskmelon, which makes melonin a potential biomarker for the consumption of this food product.
6-Octadecenoic acid
Isolated from volatiles of Coriandrum sativum (coriander), Anethum sowa (Indian dill), Cuminum cyminum (cumin), Daucus carota (carrot), Nigella sativa (black cumin), Apium graveolens (celery), Pimpinella anisum (anise) and Petroselinum sativum (parsley) [CCD]. 6-Octadecenoic acid is found in dill. Minor constituent of plant oils. Constituent of milk fat and from porcine parasites Oesophagostomum dentatum and Oesophagostomum quadrispinulatum [CCD]. Petroselaidic acid is found in fats and oils.
Oleate
COVID info from WikiPathways Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2]. Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2].
1-(2,8-Dihydroxy-1,2,6-trimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-yl)-3-hydroxypropane-1-one
4-[Tetrahydro-5-(1-hydroxy-1-methylethyl)-2-methyl-2-furanyl]-1-cyclohexene-1-carboxylic acid methyl ester
VACCENIC ACID
An octadecenoic acid having a double bond at position 11; and which can occur in cis- or trans- configurations. trans-Vaccenic acid is a precursor for the synthesis of saturated fatty acid in the rumen and of conjugated linoleic acid (CLA) at the tissue level. trans-Vaccenic acid is a precursor for the synthesis of saturated fatty acid in the rumen and of conjugated linoleic acid (CLA) at the tissue level.
(2R*,3R*,4aR*,5R*,6R*,8aR*)-octahydro-5,6-dihydroxy-2,4a,5-trimethyl-2H-spiro[furan-3,1-naphthalen]-5(4H)-one|crotinsulactone
4-[[2-(1-Hydroxy-1-methylethyl)-5-methyltetrahydrofuran]-5-yl]-1-cyclohexene-1-carboxylic acid methyl ester
5-(5-hydroxy-4,8-dimethyl-3,7-nonadienyl)-4-hydroxy-5-methyldihydrofuran-2-one|mutisifuranone A
2-acetyl-2,3,4,9-tetrahydrospirocyclohexane-1,1-(1H)pyrido<3,4-b>indole|2-acetyl-2,3,4,9-tetrahydrospirocyclohexane-1,1-(1H)pyrido[3,4-b]indole|acetylkomavine
2,6,10-Trimethyl-3,5-dioxy-7,10-epoxydodeca-1,11-dien-5-ol
Me ester-8-Hydroxy-9-oxo-2-bisabolen-15-oic acid|Methyl 4-(2-hydroxy-1,5-dimethyl-3-oxohexyl)-1-cyclohexene-1-carboxylate
(2S*,3S*,4S*)-2-(dodec-7-enyl)-3-hydroxy-4-methyl-butanolide
2-((Z)-2-nonenyloxy)-5-pentyltetrahydrofuran|2-<(Z)-2-nonenyloxy>-5-pentyltetrahydrofuran
8-hydroxymethyl-6-methoxy-4,11,11-trimethylbicyclo[7.2.0]undeca-4,7-diene-1,2-diol|fuscoatrol A
3alpha-hydroxyilicic acid methyl ester|methyl-3alpha,4alpha-dihydroxyeudesm-11(13)-en-5alpha,7alphaH-12-oate
4-[(1R*,3R*,3aS*,4S*,6aR*)-3-ethoxy-3,3a,4,5,6,6a-hexahydro-6a-methyl-4-(propan-2-yl)-1H-cyclopenta[c]furan-1-yl]butan-2-one|asperpenoid
(1R,2R,3E,5R)-5-hydroxy-5-methyl-9-oxo-2-(propan-2-yl)cyclodec-3-en-1-yl acetate|(5E)-8beta-acetoxy-4alpha-hydroxy-7betaH-germacr-5-en-10-one
(6E,9E)-11-ethoxy-3,7,11-trimethyl-1,6,9-dodecatriene-3,5-diol
(5E,9E)-11-ethoxy-3,7,11-trimethyl-1,5,9-dodecatriene-3,7-diol
(2E,6S,7S,10R)-juvenile hormone III bisepoxide|JHB3|juvenile hormone III bisepoxide|methyl (2E,6E)-6,7;10,11-bisepoxy-3,7,11-trimethyl-2-dodecenoate
3beta-((E)-dodec-1-enyl)-4beta-hydroxy-5beta-methyldihydrofuran-2-one
(2R, 3R, 4S)-2-dodec-omega-enyl-3-hydroxy-4-methylbutanolide|(3R,4R,5S)-3-(11-Dodecenyl)dihydro-4-hydroxy-5-methyl-2(3H)-furanone
9alpha-isopropenyl-6,7alpha-dimethyl-8-oxa-ergoline|Paspaclavin|Paspaclavine
Bisaborosaol E1/E2|Methyl-7,10-Dihydroxy-2,11-bisaboladien-15-oic
(Z)-10-hexadecenyl acetate|hexadec-cis-10-en-1-ol acetate
2-((Z)-3-nonenyloxy)-5-pentyltetrahydrofuran|2-<(Z)-3-nonenyloxy>-5-pentyltetrahydrofuran
8-hydroxy-5-(2-hydroxy-ethyl)-1,4a-dimethyl-6-methylene-decahydronaphthalene-1-carboxylic acid|SAD|scoparic acid D
2-butyl (7Z)-tetradecenoate|sec-butyl (Z)-7-tetradecenoate|sec.butyl (Z)-7-tetradecenoate
(4S,4S)-3,4-Dihydroxy-2-(4-hydroxy-2-decenyl)-2-cyclohexen-1-one
Me ester-(5alpha,6alpha,8alpha,9beta,10beta)-5,6-Epoxy-8-hydroxy-11-drimanoic acid
Me ester-3-Hydroxy-9-oxo-1-bisabolen-15-oic acid|Methyl 1-hydroxy-4-(1(S),5-dimethyl-3-oxohexyl)-2-cyclohexene-1-carboxylate|Methyl 1-hydroxy-4-<1(S),5-dimethyl-3-oxohexyl>-2-cyclohexene-1-carboxylate
Oleic acid
An octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. Oleic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=112-80-1 (retrieved 2024-07-16) (CAS RN: 112-80-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Elaidic acid is the major trans fat found in hydrogenated vegetable oils and can be used as a pharmaceutical solvent. Elaidic acid is the major trans fat found in hydrogenated vegetable oils and can be used as a pharmaceutical solvent. Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2]. Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2].
trans-Vaccenic acid
The trans- isomer of vaccenic acid. trans-Vaccenic acid is a precursor for the synthesis of saturated fatty acid in the rumen and of conjugated linoleic acid (CLA) at the tissue level. trans-Vaccenic acid is a precursor for the synthesis of saturated fatty acid in the rumen and of conjugated linoleic acid (CLA) at the tissue level.
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one
C16H26O4_1-Oxaspiro[2.5]octan-6-ol, 5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methyl-2-buten-1-yl)oxiranyl]-, (3R,4S,5S,6R)
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one
HEXAETHYLENE GLYCOL
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; IIRDTKBZINWQAW-UHFFFAOYSA-N_STSL_0212_Hexaethylene glycol_0125fmol_190326_S2_LC02MS02_031; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I.
Elaidic Acid
A 9-octadecenoic acid and the trans-isomer of oleic acid. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS It is used as a food additive . Elaidic acid is the major trans fat found in hydrogenated vegetable oils and can be used as a pharmaceutical solvent. Elaidic acid is the major trans fat found in hydrogenated vegetable oils and can be used as a pharmaceutical solvent.
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one [IIN-based on: CCMSLIB00000846680]
(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-one [IIN-based: Match]
hexaethyleneglycol
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 13
Petroselinic acid
Petroselinic acid, a positional isomer of oleic acid, is isolated from the vegetable oil of Coriandrum sativum fruits. Petroselinic acid, a positional isomer of oleic acid, is isolated from the vegetable oil of Coriandrum sativum fruits.
Oleate
Elaidic acid, also known as oleate or cis-9-octadecenoic acid, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, elaidic acid is considered to be a fatty acid lipid molecule. Elaidic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Elaidic acid can be synthesized from cis-octadec-9-ene. Elaidic acid is also a parent compound for other transformation products, including but not limited to, CDP-1-stearoyl-2-oleoyl-sn-glycerol, 1-decanoyl-2-oleoyl-sn-glycero-3-phosphocholine, and oleoyl ethanolamide. Elaidic acid can be found in a number of food items such as spinach, rowanberry, chicory roots, and celery leaves, which makes elaidic acid a potential biomarker for the consumption of these food products. Elaidic acid can be found primarily in most biofluids, including saliva, feces, urine, and blood, as well as throughout most human tissues. Elaidic acid exists in all living species, ranging from bacteria to humans. Moreover, elaidic acid is found to be associated with schizophrenia, gestational diabetes, and isovaleric acidemia. Elaidic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Elaidic acid is the organic compound with the formula CH3(CH2)7CHCH(CH2)7CO2H. Classified as an unsaturated trans fatty acid, it is a colorless oily solid. This compound has attracted attention because it is a major trans fat found in hydrogenated vegetable oils, and trans fats are implicated in heart disease . Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2]. Oleic acid (9-cis-Octadecenoic acid) is an abundant monounsaturated fatty acid[1]. Oleic acid is a Na+/K+ ATPase activator[2].
Petroselaidic acid
The trans-isomer of octadec-6-enoic acid, a long-chain fatty acid.
(2E,4E,6Z)-7-(7,7-Dimethyl-4,5,6,7-tetrahydro-1H-inden-2-yl)-3-methyl-octa-2,4,6-trienal
Lactapiperanol C
Juvenile hormone III skipped bisepoxide
A juvenile hormone that is methyl farnesoate in which the 2,3 and 10,11-double bonds have been epoxidised. Found in the stink bug, Plautia stali.
2-[cyclopentylmethyl(ethyl)amino]quinoline-3-carbaldehyde
trans,trans-4-(4-Methylphenyl)-4-vinylbicyclohexyl
trans-1-Ethoxy-2,3-difluoro-4-(4-propyl-cyclohexyl)-benzene
1-[2-(METHOXYMETHOXY)ETHYL]-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
Methyl(z)-oct-2-enoate-3-boronic acidpinacol ester
tert-butyl 4-(2-oxocyclohexyl)piperazine-1-carboxylate
BIS-TRIS PROPANE
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
tert-Butyl[4-(dimethoxymethyl)phenoxy]dimethylsilane
1-(2,2-DIMETHOXYETHYL)-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRAZOLE
1,3-Propanediol, 2,2-bis(hydroxymethyl)-, allyl ether
tert-butyl 4-[4-(hydroxymethyl)triazol-1-yl]piperidine-1-carboxyl ate
2-(5-((TERT-BUTYLDIMETHYLSILYLOXY)METHYL)PYRAZIN-2-YL)PROPAN-2-OL
Octatropine methylbromide
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists
tert-butyl 2,9-diazaspiro[6.6]tridecane-2-carboxylate
(1S,3aR,7aR)-1-((S)-1-(3-hydroxy-3-methylbutoxy)ethyl)-7a-methyloctahydro-4H-inden-4-one
tert-butyl 3-(pyrrolidine-1-carbonyl)piperidine-1-carboxylate
4-tert-butylphenol,formaldehyde,2-methyloxirane,oxirane
2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 2-methyl-1-oxo-, 1,1-dimethylethyl ester
1-methoxy-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-5-yl]propan-2-ol
Emepronium
G - Genito urinary system and sex hormones > G04 - Urologicals > G04B - Urologicals > G04BD - Drugs for urinary frequency and incontinence D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D010276 - Parasympatholytics D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D018680 - Cholinergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents
8,8-Dimethyl-3-[(2-propylpentanoyl)oxy]-8-azoniabicyclo[3.2.1]octane
(5S)-2-(cyclooctylamino)-5-methyl-5-propyl-1,3-thiazol-4(5H)-one
8-Hydroxy-2-(1-hydroxyheptyl)-2,3,4,6,7,8-hexahydrochromen-5-one
methyl (2E)-5-[(2S,3S)-3-{2-[(2R)-3,3-dimethyloxiran-2-yl]ethyl}-3-methyloxiran-2-yl]-3-methylpent-2-enoate
Fumagillol
Fumagillol is a direct precursor of fumagillin. Fumagillin, as an antimicrobial agent, is a potent and selective inhibitor of angiogenesis[1].
2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)acetamide
N-(2,6-dimethylphenyl)-N(2)-(3,5-dimethylphenyl)glycinamide
(4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-ol
N-cycloheptyl-2-(cyclohexylamino)-2-sulfanylideneacetamide
3-(3,4-dihydro-2H-quinolin-1-ylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
(Z)-3-(3,5-ditert-butyl-4-hydroxyphenyl)-2-isocyanoprop-2-enenitrile
3-ethyl-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzoxazol-3-ium
methyl (2E,6E)-9-[(2R,3R)-3-(hydroxymethyl)-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate
(2R,3R)-2-ethyl-4-[2-[1-(2-ethylcyclopropyl)propan-2-yl]cyclopropyl]-3-hydroxybutanoic acid
(2Z)-7-Methyl-1-trimethylsilyl-3-[(trimethylsilyl)methyl]-2,6-octadiene
1-(Trimethylsilyl)-4-oxodecahydronaphthalene-1-carboxylic acid methyl ester
3-Dehydroretinal
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids
2-Hydroxydesipramine
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
juvenile hormone III bisepoxide
A juvenile hormone that is methyl farnesoate in which the 6,7 and 10,11-double bonds have been epoxidised.
methyl (5s)-5-[(2s,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylate
3a-methoxy-6,6,9a-trimethyl-1h,3h,5ah,7h,8h,9h-naphtho[1,2-c]furan-1,9b-diol
methyl (4r)-4-[(2r,5s)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]cyclohex-1-ene-1-carboxylate
methyl 4-(2,5-dihydroxy-6-methylhept-6-en-2-yl)cyclohex-1-ene-1-carboxylate
(1r,4ar,5r,8s,8ar)-8-hydroxy-5-(2-hydroxyethyl)-1,4a-dimethyl-6-methylidene-hexahydro-2h-naphthalene-1-carboxylic acid
methyl 6-[(1s,2r)-3-oxo-2-pentylcyclopentyl]hexanoate
2-ethyl-2-hydroxy-3,5-dimethyl-6-(4-methylhept-2-en-2-yl)oxan-4-one
[4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexyl]methyl acetate
7-methoxy-2,2,4,9-tetramethyl-6-oxatricyclo[6.3.1.0⁴,¹²]dodec-8(12)-ene-3,11-diol
[(1r,2r,4s,4ar,8ar)-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]acetic acid
(3e,12bs)-3-ethylidene-9-methoxy-1h,2h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizine
6-(2-hydroxy-4-methylcyclohex-3-en-1-yl)-2,2-dimethyloxan-3-yl acetate
2-(methoxymethyl)-5,5,8a-trimethyl-3-oxo-hexahydro-1h-naphthalene-1-carboxylic acid
(7z,9s,12r)-9,12-dihydroxyhexadec-7-en-10-ynoic acid
(4as,11bs)-4,4,7,11b-tetramethyl-1h,2h,3h,4ah,5h,6h-phenanthro[3,2-b]furan
1-[(1s,2s,4as,6s,8r,8ar)-2,8-dihydroxy-1,2,6-trimethyl-4a,5,6,7,8,8a-hexahydronaphthalen-1-yl]-3-hydroxypropan-1-one
1-[(1r,2r,4ar,6s,8as)-2,6-dihydroxy-1,2,6-trimethyl-5,7,8,8a-tetrahydro-4ah-naphthalen-1-yl]-3-hydroxypropan-1-one
methyl 4-(3-hydroxy-6-methyl-4-oxoheptan-2-yl)cyclohex-1-ene-1-carboxylate
(1s,3s,9r,10r)-8-(hydroxymethyl)-10-methoxy-2,5,5-trimethyl-11-oxatricyclo[7.2.1.0²,⁷]dodec-7-en-3-ol
3,7,11-trimethyl-3-hydroxy-6,10-dodecadien-1-ylacetate
{"Ingredient_id": "HBIN007756","Ingredient_name": "3,7,11-trimethyl-3-hydroxy-6,10-dodecadien-1-ylacetate","Alias": "NA","Ingredient_formula": "C17H30O3","Ingredient_Smile": "CC(=CCCC(=CCCC(C)(CCOC(=O)C)O)C)C","Ingredient_weight": "282.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41625","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5366047","DrugBank_id": "NA"}
5α-hydroxy-4-epi-ilicicacid methyl ester
{"Ingredient_id": "HBIN011423","Ingredient_name": "5\u03b1-hydroxy-4-epi-ilicicacid methyl ester","Alias": "NA","Ingredient_formula": "C16H26O4","Ingredient_Smile": "CC12CCCC(C1(CC(CC2)C(=C)C(=O)OC)O)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10071","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7α-hydroxypinguisenol-12-methyl ester
{"Ingredient_id": "HBIN013043","Ingredient_name": "7\u03b1-hydroxypinguisenol-12-methyl ester","Alias": "NA","Ingredient_formula": "C16H26O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10649","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7β-hydroxypinguisenol-12-methyl ester
{"Ingredient_id": "HBIN013114","Ingredient_name": "7\u03b2-hydroxypinguisenol-12-methyl ester","Alias": "NA","Ingredient_formula": "C16H26O4","Ingredient_Smile": "CC1CC2C=CC(C(C2C(C1)O)(C)C(=O)CCO)(C)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10650","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisaborosaol b1
{"Ingredient_id": "HBIN018585","Ingredient_name": "bisaborosaol b1","Alias": "NA","Ingredient_formula": "C16H26O4","Ingredient_Smile": "CC1(CCC(O1)C(C)(C)O)C2CCC(=CC2)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14479","TCMID_id": "2418","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisaborosaol b2
{"Ingredient_id": "HBIN018586","Ingredient_name": "bisaborosaol b2","Alias": "NA","Ingredient_formula": "C16H26O4","Ingredient_Smile": "CC1(CCC(O1)C(C)(C)O)C2CCC(=CC2)C(=O)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14480","TCMID_id": "2419","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
bisaborosaol f
{"Ingredient_id": "HBIN018590","Ingredient_name": "bisaborosaol f","Alias": "NA","Ingredient_formula": "C16H26O4","Ingredient_Smile": "CC(C)C1=NC2=C(CC3=C(CC2)C=CC(=C3)NC(=O)NN4CCN(CC4)C)C(=C1C=CC(CC(CC(=O)O)O)O)C5=CC=C(C=C5)F","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14484","TCMID_id": "2423","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
