Exact Mass: 296.2715
Exact Mass Matches: 296.2715
Found 418 metabolites which its exact mass value is equals to given mass value 296.2715,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
DUB OM HTO
Oleic acid methyl ester is a clear to amber liquid. Insoluble in water. (NTP, 1992) Methyl oleate is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of oleic acid with methanol. It is functionally related to an oleic acid. Methyl oleate is a natural product found in Anchietea pyrifolia, Lepidium meyenii, and other organisms with data available. Methyl oleate is a fatty acid methyl ester (FAME). Methyl oleate substantially improves the antioxidation ability but markedly impaired the antiwear capacity of zinc dialkyldithiophosphate (ZDDP)[1]. Methyl oleate is a fatty acid methyl ester (FAME). Methyl oleate substantially improves the antioxidation ability but markedly impaired the antiwear capacity of zinc dialkyldithiophosphate (ZDDP)[1].
Phytol
Phytol, also known as trans-phytol or 3,7,11,15-tetramethylhexadec-2-en-1-ol, is a member of the class of compounds known as acyclic diterpenoids. Acyclic diterpenoids are diterpenoids (compounds made of four consecutive isoprene units) that do not contain a cycle. Thus, phytol is considered to be an isoprenoid lipid molecule. Phytol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Phytol can be found in a number of food items such as salmonberry, rose hip, malus (crab apple), and black raspberry, which makes phytol a potential biomarker for the consumption of these food products. Phytol can be found primarily in human fibroblasts tissue. Phytol is an acyclic diterpene alcohol that can be used as a precursor for the manufacture of synthetic forms of vitamin E and vitamin K1. In ruminants, the gut fermentation of ingested plant materials liberates phytol, a constituent of chlorophyll, which is then converted to phytanic acid and stored in fats. In shark liver it yields pristane . Phytol is a diterpenoid that is hexadec-2-en-1-ol substituted by methyl groups at positions 3, 7, 11 and 15. It has a role as a plant metabolite, a schistosomicide drug and an algal metabolite. It is a diterpenoid and a long-chain primary fatty alcohol. Phytol is a natural product found in Elodea canadensis, Wendlandia formosana, and other organisms with data available. Phytol is an acyclic diterpene alcohol and a constituent of chlorophyll. Phytol is commonly used as a precursor for the manufacture of synthetic forms of vitamin E and vitamin K1. Furthermore, phytol also was shown to modulate transcription in cells via transcription factors PPAR-alpha and retinoid X receptor (RXR). Acyclic diterpene used in making synthetic forms of vitamin E and vitamin K1. Phytol is a natural linear diterpene alcohol which is used in the preparation of vitamins E and K1. It is also a decomposition product of chlorophyll. It is an oily liquid that is nearly insoluble in water, but soluble in most organic solvents. -- Wikipedia. A diterpenoid that is hexadec-2-en-1-ol substituted by methyl groups at positions 3, 7, 11 and 15. C1907 - Drug, Natural Product > C28269 - Phytochemical Acquisition and generation of the data is financially supported in part by CREST/JST. Phytol ((E)?-?Phytol), a diterpene alcohol from chlorophyll widely used as a food additive and in medicinal fields, possesses promising antischistosomal properties. Phytol has antinociceptive and antioxidant activitiesas well as anti-inflammatory and antiallergic effects. Phytol has antimicrobial activity against Mycobacterium tuberculosis and Staphylococcus aureus[1]. Phytol ((E)?-?Phytol), a diterpene alcohol from chlorophyll widely used as a food additive and in medicinal fields, possesses promising antischistosomal properties. Phytol has antinociceptive and antioxidant activitiesas well as anti-inflammatory and antiallergic effects. Phytol has antimicrobial activity against Mycobacterium tuberculosis and Staphylococcus aureus[1].
3-HODE + 9-HODE
13-Hydroxyoctadecadienoic acid (13-HODE) (CAS: 18104-45-5), also known as 13(S)-hydroxy-9Z,11E-octadecadienoic acid or 13(S)-HODE, is the major lipoxygenation product synthesized in the body from linoleic acid. 13-HODE prevents cell adhesion to endothelial cells and can inhibit cancer metastasis. 13-HODE synthesis is enhanced by cyclic AMP. gamma-Linolenic acid, a desaturated metabolite of linoleic acid, causes substantial stimulation of 13-HODE synthesis. A fall in gamma-linolenic acid synthesis with age may be related to the age-related fall in 13-HODE formation (PMID: 9561154). 13-HODE is considered an intermediate in linoleic acid metabolism. It is generated from 13(S)-HPODE via the enzyme lipoxygenase (EC 1.13.11.12). 13-HODE has been shown to be involved in cell proliferation and differentiation in a number of systems. 13-HODE is found to be produced by prostate tumours and cell lines and researchers believe that there is a link between linoleic acid metabolism and the development or progression of prostate cancer (PMID: 9367845).
9,10-Epoxyoctadecenoic acid
9,10-Epoxyoctadecenoic acid (9,10-EOA) is a peroxidation product of linoleic acid (LA). 9,10-EOA is a naturally occurring component of oxidized low density lipoprotein (LDL), the level of which increases with aging, atherosclerosis, and rheumatoid arthritis, perhaps due to an increase in 15-lipoxygenase and free oxygen radicals. 9,10-EOA is a proliferator-activated receptors (PPAR) gamma2 ligand, that is antiosteogenic without stimulating adipocyte differentiation. Studies in dogs suggest that 9,10-EOA has toxic cardiovascular effects. (PMID: 12665667, 12021203, 10667371).
alpha-Dimorphecolic acid
alpha-Dimorphecolic acid or 9(S)-HODE is an endogenous fatty acid (PPAR)gamma agonist synthesized in the body from linoleic acid. alpha-Dimorphecolic acid activates peroxisomal proliferator-activated receptor-gamma (PPAR)gamma in human endothelial cells increasing plasminogen activator inhibitor type-1 expression. Plasminogen activator inhibitor type-1 (PAI-1) is a major physiological inhibitor of fibrinolysis, with its plasma levels correlating with the risk for myocardial infarction and venous thrombosis. The regulation of PAI-1 transcription by endothelial cells (ECs), a major source of PAI-1, remains incompletely understood. Adipocytes also produce PAI-1, suggesting possible common regulatory pathways between adipocytes and ECs. Peroxisomal proliferator-activated receptor-gamma (PPAR)gamma is a ligand-activated transcription factor that regulates gene expression in response to various mediators such as 15-deoxy-delta12, 14-prostaglandin J2 (15d-PGJ2) and oxidized linoleic acid (9- and 13-HODE). alpha-Dimorphecolic acid is a ligand of the G protein-coupled receptor G2A (PMID: 10073956, 16647253, 16236715). alpha-Dimorphecolic acid inhibits the proliferation of NHEK cells by suppressing DNA synthesis and arresting the cell cycle in the G0/1-phase. alpha-Dimorphecolic acid-G2A signalling plays proinflammatory roles in the skin under oxidative conditions (PMID: 18034171). Present in plant and animal lipids as autoxidn. or lipoxygenase oxidn. production of linoleic acid.
12,13-EpOME
12,13-EpOME is the 12,13-cis epoxide of linoleic acid, generated by neutrophils during the oxidative burst. The toxicity and biosynthesis of 12,13-EpOME has not been well differentiated from 9,10-EpOME, but has been presumed to be essentially the same.P [HMDB]. Vernolic acid is found in rice. 12,13-EpOME is the 12,13-cis epoxide of linoleic acid, generated by neutrophils during the oxidative burst. The toxicity and biosynthesis of 12,13-EpOME has not been well differentiated from 9,10-EpOME, but has been presumed to be essentially the same.P.
10-nonadecenoate (19:1n9)
10Z-Nonadecenoic acid is a monounsaturated fatty acid that has a C19 chain as a backbone and a cis double bond at the C10 position. It 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. 10Z-Nonadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 10Z-Nonadecenoic acid can be found in blood and feces. Within the cell, 10Z-nonadecenoic acid is primarily located in the membrane (predicted from logP). It can also be found in the extracellular space. Nonadeca-10(Z)-enoic acid is a fatty acid that has C19 chain as backbone and a cis double bond at the C10 position [HMDB]
Avenoleic acid
Avenoleic acid is found in cereals and cereal products. Avenoleic acid is a constituent of oat seeds (Avena sativa) Constituent of oat seeds (Avena sativa). Avenoleic acid is found in oat and cereals and cereal products.
(Z)-11-Eicosen-1-ol
Present in seeds of Simmondsia chinensis (jojoba). (Z)-11-Eicosen-1-ol is found in coffee and coffee products, fats and oils, and nuts. (Z)-11-Eicosen-1-ol is found in coffee and coffee products. (Z)-11-Eicosen-1-ol is present in seeds of Simmondsia chinensis (jojoba
(Z)-13-Oxo-9-octadecenoic acid
(Z)-13-Oxo-9-octadecenoic acid is found in cereals and cereal products. (Z)-13-Oxo-9-octadecenoic acid is isolated from wheat flour infested with the beetle Oryzaephilus surinamensi Isolated from wheat flour infested with the beetle Oryzaephilus surinamensis. (Z)-13-Oxo-9-octadecenoic acid is found in cereals and cereal products.
12-Hydroxy-8,10-octadecadienoic acid
12-Hydroxy-8,10-octadecadienoic acid is found in fruits. 12-Hydroxy-8,10-octadecadienoic acid is a constituent of the seeds of Elaeagnus angustifolia (Russian olive) Constituent of the seeds of Elaeagnus angustifolia (Russian olive). 12-Hydroxy-8,10-octadecadienoic acid is found in fruits.
Thromboxane
Thromboxane is a member of the family of lipids known as eicosanoids. It is produced in platelets by thromboxane synthetase, which is produced from the endoperoxides by the cyclooxygenase (COX) enzyme from arachidonic acid. -- Wikipedia; Thromboxane is a vasoconstrictor, potent hypertensive agent, and facilitates the clumping of platelets. It is in homeostatic balance in the circulatory system with prostacyclin, a related compound. The widely-used drug aspirin acts by inhibiting the ability of the COX enzyme to synthesize the precursors of thromboxane within platelets. -- WikipediaThromboxanes are eicosanoids. The eicosanoids consist of the prostaglandins (PGs), thromboxanes (TXs), leukotrienes (LTs), and lipoxins (LXs). The PGs and TXs are collectively identified as prostanoids. Prostaglandins were originally shown to be synthesized in the prostate gland, thromboxanes from platelets (thrombocytes), and leukotrienes from leukocytes, hence the derivation of their names. All mammalian cells except erythrocytes synthesize eicosanoids. These molecules are extremely potent, able to cause profound physiological effects at very dilute concentrations. All eicosanoids function locally at the site of synthesis, through receptor-mediated G-protein linked signalling pathways. Thromboxane is a member of the family of lipids known as eicosanoids. It is produced in platelets by thromboxane synthetase, which is produced from the endoperoxides by the cyclooxygenase (COX) enzyme from arachidonic acid. -- Wikipedia; Thromboxane is a vasoconstrictor, potent hypertensive agent, and facilitates the clumping of platelets. It is in homeostatic balance in the circulatory system with prostacyclin, a related compound. The widely-used drug aspirin acts by inhibiting the ability of the COX enzyme to synthesize the precursors of thromboxane within platelets. -- Wikipedia
4,6-Nonadecanedione
4,6-Nonadecanedione is found in fats and oils. 4,6-Nonadecanedione is a constituent of the pollen of Helianthus annuus (sunflower) Constituent of the pollen of Helianthus annuus (sunflower). 4,6-Nonadecanedione is found in fats and oils.
(10E,12Z)-9-HODE
(10E,12Z)-9-HODE, also known as 9-Hydroxy-10E,12Z-octadecadienoic acid or 9-Hydroxylinoleic acid, is classified as a lineolic acid or a Lineolic acid derivative. Lineolic acids are derivatives of lineolic acid. Lineolic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. (10E,12Z)-9-HODE is considered to be practically insoluble (in water) and acidic. (10E,12Z)-9-HODE is an octadecanoid lipid molecule
Nonadecenoic acid
Nonadecenoic acid, also known as nonadecenoate, 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. Nonadecenoic acid is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Nonadecenoic acid can be found in peanut, which makes nonadecenoic acid a potential biomarker for the consumption of this food product.
Eicosen-1-ol
Eicosen-1-ol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Eicosen-1-ol can be found in garden onion, which makes eicosen-1-ol a potential biomarker for the consumption of this food product.
[R-(E,E)]-13,14-Dihydroxy-6,10,14-trimethyl-5,9-pentadecadien-2-one
(+)-Vernolic acid
An optically active form of vernolic acid having (12S,13R)-configuration.
dihydro-5-(7 -hydroxy-8-tetradecenyl)-2(3h)-furanone
(ent-13??)-4,13-Dihydroxy-15,16-dinor-4,5-seco-5-rosanone|ent-4,13xi-dihydroxy-15,16-bisnorpictan-5-one
(6S,7S,9Z)-9,18-Nonadecadiene-6,7-diol,9CI|(6S,7S,9Z)-nonadeca-9,18-diene-6,7-diol
3(xi)-hydroxy-octadeca-4(E),6(Z)-dienoic acid|3(zeta)-hydroxy-octadeca-4(E),6(Z)-dienoic acid|3-hydroxy-octadeca-4(E),6(Z)-dienoic acid
(1S,4aR,5R,8aS)-5-[(1R)-5-hydroxy-1,5-dimethylhexyl]-4a-methyldecahydronaphthalen-1-ol
(7E)-9-ketooctadec-7-enoic acid|7(E)-9-keto-octadec-7-enoic acid
rel-(S,E)-2-[(S)-2,2-dimethyl-1,3-dioxolan-4-yl]-6,10-dimethylundeca-5,9-dien-2-ol
methyl 3,6-epoxy-4R,8R-diethyl-6S-methyl-2Z-dodecenoate
FA 18:2;O
2-hydroxylinoleic acid is a 2-hydroxy fatty acid derived from linoleic acid. It has a role as an Arabidopsis thaliana metabolite, an antineoplastic agent, a PPARalpha agonist and a PPARgamma agonist. It is a 2-hydroxy fatty acid, a long-chain fatty acid and a HODE. It is functionally related to a linoleic acid. alpha-Hydroxylinoleic acid is under investigation in clinical trial NCT04431258 (ABTL0812 in Combination With FOLFIRINOX for First-line Treatment of Metastatic Pancreatic Study). mTORC1/mTORC2/DHFR Inhibitor ABTL0812 is an orally bioavailable, lipid analogue and inhibitor of raptor-mammalian target of rapamycin (mTOR) (mTOR complex 1; mTORC1), rictor-mTOR (mTOR complex 2; mTORC2) and dihydrofolate reductase (DHFR) with potential antineoplastic activity. Upon oral administration, mTORC1/mTORC2/DHFR inhibitor ABTL0812 binds to and inhibits both mTORC1 and mTORC2, which may result in apoptosis and a decrease in proliferation in mTORC1/2-expressing tumor cells. mTOR is a serine/threonine kinase that is upregulated in some tumors; it plays an important role in the PI3K/Akt/mTOR signaling pathway which is often deregulated in cancer cells. In addition, ABTL0812 inhibits DHFR, an enzyme that reduces dihydrofolic acid to tetrahydrofolic acid, thereby blocking tetrahydrofolate synthesis, and resulting in both the depletion of nucleotide precursors and the inhibition of DNA, RNA and protein synthesis. This induces autophagy-induced cell death and further inhibition of cell proliferation. A 2-hydroxy fatty acid derived from linoleic acid. C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
Phytol
Phytol is a key acyclic diterpene alcohol that is a precursor for vitamins E and K1. Phytol is an extremely common terpenoid, found in all plants esterified to Chlorophyll to confer lipid solubility[citation needed].; Phytol is a natural linear diterpene alcohol which is used in the preparation of vitamins E and K1. It is also a decomposition product of chlorophyll. It is an oily liquid that is nearly insoluble in water, but soluble in most organic solvents. -- Wikipedia C1907 - Drug, Natural Product > C28269 - Phytochemical Phytol ((E)?-?Phytol), a diterpene alcohol from chlorophyll widely used as a food additive and in medicinal fields, possesses promising antischistosomal properties. Phytol has antinociceptive and antioxidant activitiesas well as anti-inflammatory and antiallergic effects. Phytol has antimicrobial activity against Mycobacterium tuberculosis and Staphylococcus aureus[1]. Phytol ((E)?-?Phytol), a diterpene alcohol from chlorophyll widely used as a food additive and in medicinal fields, possesses promising antischistosomal properties. Phytol has antinociceptive and antioxidant activitiesas well as anti-inflammatory and antiallergic effects. Phytol has antimicrobial activity against Mycobacterium tuberculosis and Staphylococcus aureus[1].
(10E,12E)-9-hydroxyoctadeca-10,12-dienoic acid
13-HODE-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0095.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0095.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0095.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001277.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
12(13)-EpOME-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0082.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0082.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0082.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001303.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
9-HODE
A HODE that consists of (10E,12Z)-octadecadienoic acid with the hydroxy substituent located at position 9. CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ]; CONFIDENCE standard compound CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0132.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001339.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
9(10)-EpOME-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0124.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0124.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0124.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 30.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 20.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 10.0 eV within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 40.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 30.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ] CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001355.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
13(R)-HODE
A 13-HODE in which the stereocentre at position 13 has S-configuration.
Vernolic acid
A monounsaturated epoxy fatty acid composed of cis-9-octadecenoic acid having a 12,13-epoxy group.
1,8-diazabicyclo[5.4.0]undec-7-ene, compound with 2-ethylhexanoic acid (1:1)
4-tert-Octylphenyl-3,5-D2 Diethoxylate Solution, 1ug/ml in Acetone
(1R,2R)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
2-[1-(3,3-dimethylcyclohexyl)ethoxy]-2-methylpropyl cyclopropanecarboxylate
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
2,8-Diazaspiro[4.5]decane-8-carboxylic acid, 2-(1-methylethyl)-, 1,1-dimethylethyl ester
10-Nonadecenoic acid
A monounsaturated fatty acid that is nonadecanoic acid with a double bond at position 10.
13S-hydroxyoctadecadienoic acid
13-hydroxyoctadecadienoic acid (13-HODE) is synthesized in the body from linoleic acid. 13-HODE prevents cell adhesion to endothelial cells and can inhibit cancer metastasis. 13-HODE synthesis is enhanced by cyclic AMP. Gamma-linolenic acid, a desaturated metabolite of linoleic acid, causes substantial stimulation of 13-HODE synthesis. A fall in gamma-linolenic acid synthesis with age may be related to the age-related fall in 13-HODE formation. (PMID 9561154) 13-HODE is considered an intermediate in Linoleic acid metabolism(KEGG ID C14762). It is generated from 13(S)-HPODE via the enzyme lipoxygenase [EC:1.13.11.12]. [HMDB]
cis-9-Nonadecenoic acid
A monounsaturated fatty acid that is nonadecanoic acid that has been dehydrogenated to introduce a double bond with Z configuration between the carbons at positions 9 and 10. It has been isolated from the spores of reishi mushroom, Ganoderma lucidum, and found to inhibit tumour cell proliferation and induce apoptosis of HL-60 cells.
11-EICOSENOL
A fatty alcohol 20:1 that is icosanol containing a double bond located at position 11 (the 11Z-geoisomer).
(10S,12Z,15Z)-10-hydroxyoctadeca-12,15-dienoic acid
8-Methoxy-2-methyl-6-methylene-7-[(trimethylsilyl)methyl]-2-undecene
isoleukotoxin
An optically active form of vernolic acid having (12R,13S)-configuration. D004791 - Enzyme Inhibitors
Laetisaric acid
A C18, straight-chain, hydroxy fatty acid composed of linoleic acid having an (R)-hydroxy group at the 8-position.
13(S)-HODE
An HODE (hydroxyoctadecadienoic acid) in which the double bonds are at positions 9 and 11 (E and Z geometry, respectively) and the hydroxy group is at position 13 (with S-configuration).
11,12-methyleneoctadecanoic acid
A C18, saturated fatty acid composed of octadecanoic acid having an 11,12-methylene substituent forming a cyclopropane.
18-Hydroxylinoleic acid
An omega-hydroxy fatty acid that is linoleic acid in which one of the terminal methyl hydrogens has been replaced by a hydroxy group.
(S)-9-Hydroxy-10-trans,12-trans-octadecadienoic acid
(9R,10S)-9(10)-EpOME
A 9(10)-EpOME in which the epoxide has 9R,10S stereochemistry.
9(10)-EpOME
An EpOME obtained by formal epoxidation of the 9,10-double bond of octadeca-9,12-dienoic acid (the 12Z-geoisomer).
(10Z)-nonadec-10-enoic acid
The (Z)-stereoisomer of 10-nonadecenoic acid.
13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one
8-[(1s,2r)-3-oxo-2-pentylcyclopentyl]octanoic acid
(5e,9e,13r)-13,14-dihydroxy-6,10,14-trimethylpentadeca-5,9-dien-2-one
(5s)-5-[(7s,8e)-7-hydroxytetradec-8-en-1-yl]oxolan-2-one
(±)-12,13-epoxyoleicacid
{"Ingredient_id": "HBIN000537","Ingredient_name": "(±)-12,13-epoxyoleicacid","Alias": "NA","Ingredient_formula": "C18H32O3","Ingredient_Smile": "CCCCCC1C(O1)CC=CCCCCCCCC(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "7179","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
18-nonadecenoic acid
{"Ingredient_id": "HBIN002140","Ingredient_name": "18-nonadecenoic acid","Alias": "NA","Ingredient_formula": "C19H36O2","Ingredient_Smile": "C=CCCCCCCCCCCCCCCCCC(=O)O","Ingredient_weight": "296.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33868","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "543857","DrugBank_id": "NA"}
3, 5, 11, 15-tetramethyl-1-Hexadecen-3-ol
{"Ingredient_id": "HBIN007525","Ingredient_name": "3, 5, 11, 15-tetramethyl-1-Hexadecen-3-ol","Alias": "3,5, 11, 15-tetramethyl- 1- hexadecen- 3- ol","Ingredient_formula": "C20H40O","Ingredient_Smile": "CC(C)CCCC(C)CCCCCC(C)CC(C)(C=C)O","Ingredient_weight": "296.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40826;40825","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "551282","DrugBank_id": "NA"}
3,7, 11, 15-tetramethyl- 2- hexadecen- 1- ol
{"Ingredient_id": "HBIN007746","Ingredient_name": "3,7, 11, 15-tetramethyl- 2- hexadecen- 1- ol","Alias": "3,7,11,15-Tetramethyl-2-hexadecen-1-ol; 3,7,11,15-tetramethyl-2-hexadecen-1-ol","Ingredient_formula": "C20H40O","Ingredient_Smile": "CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C","Ingredient_weight": "296.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41573;28015;42404","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5366244","DrugBank_id": "NA"}
5-octadecenoicacid,methylester
{"Ingredient_id": "HBIN011848","Ingredient_name": "5-octadecenoicacid,methylester","Alias": "NA","Ingredient_formula": "C19H36O2","Ingredient_Smile": "CCCCCCCCCCCCC=CCCCC(=O)OC","Ingredient_weight": "296.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7642","PubChem_id": "5366841","DrugBank_id": "NA"}
6- octadecenoic acid methyl ester
{"Ingredient_id": "HBIN012660","Ingredient_name": "6- octadecenoic acid methyl ester","Alias": "NA","Ingredient_formula": "C19H36O2","Ingredient_Smile": "CCCCCCCCCCCC=CCCCCC(=O)OC","Ingredient_weight": "296.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37673","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "5366845","DrugBank_id": "NA"}
7-octadecenoicacid,methylester
{"Ingredient_id": "HBIN013389","Ingredient_name": "7-octadecenoicacid,methylester","Alias": "NA","Ingredient_formula": "C19H36O2","Ingredient_Smile": "CCCCCCCCCCC=CCCCCCC(=O)OC","Ingredient_weight": "296.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7429","PubChem_id": "5364440","DrugBank_id": "NA"}
