Exact Mass: 317.2593
Exact Mass Matches: 317.2593
Found 152 metabolites which its exact mass value is equals to given mass value 317.2593,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4-Hydroxysphinganine
Phytosphingosine is a phospholipid. Phospholipids are a class of lipids and a major component of all biological membranes; sphingolipid metabolites, such as sphingosine and ceramide, are highly bioactive compounds and are involved in diverse cell processes, including cell-cell interaction, cell proliferation, differentiation, and apoptosis. Phytosphingosine is also one of the most widely distributed natural sphingoid bases, which is abundant in fungi and plants, and also found in animals including humans. Phytosphingosine is structurally similar to sphingosine; phytosphingosine possesses a hydroxyl group at C-4 of the sphingoid long-chain base. The physiological roles of phytosphingosine are largely unknown. Phytosphingosine induces apoptosis in human T-cell lymphoma and non-small cell lung cancer cells, and induces caspase-independent cytochrome c release from mitochondria. In the presence of caspase inhibitors, phytosphingosine-induced apoptosis is almost completely suppressed, suggesting that phytosphingosine-induced apoptosis is largely dependent on caspase activities. (PMID: 12576463, 12531554, 8046331, 8048941,8706124) [HMDB] Phytosphingosine is a phospholipid. Phospholipids are a class of lipids and a major component of all biological membranes; sphingolipid metabolites, such as sphingosine and ceramide, are highly bioactive compounds and are involved in diverse cell processes, including cell-cell interaction, cell proliferation, differentiation, and apoptosis. Phytosphingosine is also one of the most widely distributed natural sphingoid bases, which is abundant in fungi and plants, and also found in animals including humans. Phytosphingosine is structurally similar to sphingosine; phytosphingosine possesses a hydroxyl group at C-4 of the sphingoid long-chain base. The physiological roles of phytosphingosine are largely unknown. Phytosphingosine induces apoptosis in human T-cell lymphoma and non-small cell lung cancer cells, and induces caspase-independent cytochrome c release from mitochondria. In the presence of caspase inhibitors, phytosphingosine-induced apoptosis is almost completely suppressed, suggesting that phytosphingosine-induced apoptosis is largely dependent on caspase activities. (PMID: 12576463, 12531554, 8046331, 8048941,8706124). Phytosphingosine is a?phospholipid and has anti-cancer activities. Phytosphingosine induces cell apoptosis via caspase 8 activation and Bax translocation in cancer cells[1].
HEXOCYCLIUM
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03A - Drugs for functional gastrointestinal disorders > A03AB - Synthetic anticholinergics, quaternary ammonium compounds C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Butenafine
Butenafine is only found in individuals that have used or taken this drug. It is a synthetic benzylamine antifungal agent.Although the mechanism of action has not been fully established, it has been suggested that butenafine, like allylamines, interferes with sterol biosynthesis (especially ergosterol) by inhibiting squalene monooxygenase, an enzyme responsible for converting squalene to 2,3-oxydo squalene. As ergosterol is an essential component of the fungal cell membrane, inhibition of its synthesis results in increased cellular permeability causing leakage of cellular contents. Blockage of squalene monooxygenase also leads to a subsequent accumulation of squalene. When a high concentration of squalene is reached, it is thought to have an effect of directly kill fungal cells. D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
Piptanthine
Origin: Plant; SubCategory_DNP: Alkaloids derived from lysine, Piperidine alkaloids
3-hydroxynonanoyl carnitine
3-Hydroxynonanoyl carnitine is an acylcarnitine. More specifically, it is an 3-hydroxynonanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-Hydroxynonanoyl carnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 3-hydroxynonanoyl carnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
Morpholine, 4-(3-(4-(1,1-dimethylpropyl)phenyl)-2-methylpropyl)-2,6-dimethyl-
D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
4-hydroxysphinganine
4-hydroxysphinganine is a member of the class of compounds known as 1,3-aminoalcohols. 1,3-aminoalcohols are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C3 atom. 4-hydroxysphinganine is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 4-hydroxysphinganine can be found in a number of food items such as fenugreek, citrus, chestnut, and boysenberry, which makes 4-hydroxysphinganine a potential biomarker for the consumption of these food products.
(2E,4E,9Z)-1-(piperidin-1-yl)hexadeca-2,4,9-trien-1-one
1-(1,2,3,4,5,6,7,10-octahydro-4,4,10-trimethyl-8H-benzo[e]indol-2-yl)-3-hydroxy-3-methylbutan-2-one|chamobtusin A
(7aS,11aS,11bS)-7,7a,8,9,10,11,11a,11b-octahydro-11b-hydroxy-alpha,alpha,8,8,11a-pentamethyl-6H-naphth[1,2-d]azepine-4-methanol|triptotin J
Phytosphingosine
Phytosphingosine is a?phospholipid and has anti-cancer activities. Phytosphingosine induces cell apoptosis via caspase 8 activation and Bax translocation in cancer cells[1].
Phytosphingosine (not validated, isomer of 1697)
Annotation level-2
Phytosphingosine (not validated, isomer of 1696)
Annotation level-2
1-((2R)(2-piperidyl))(1S,10S,2R)-3,15-diazatetracyclo(7.7.1.0(2,7).0(10,15))heptadecane
Origin: Plant; Formula(Parent): C20H35N3; Bottle Name:Ormosanine; PRIME Parent Name:Ormosanine; PRIME in-house No.:V0309; SubCategory_DNP: Alkaloids derived from lysine, More complex lysine-derived alkaloids, Ormosia alkaloids
Amorolfine
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
4-METHYL-3-PYRROLIDIN-1-YLMETHYL-PIPERAZINE-1-CARBOXYLICACIDBENZYLESTER
4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)MORPHOLINE
1-ETHYL-4-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZINE
N-cyclohexyl-2-nitro-4-((piperidin-1-yl)methyl)benzenamine
N,N-diethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
N-tert-Butyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide
Dicyclohexyl(4-(N,N-dimethylamino)phenyl)phosphine
N,N-DIETHYL-2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETAMIDE
1-(2-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY)ETHYL)PYRROLIDINE
4-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenethyl)Morpholine
4,17alpha-Dimethyl-4-aza-5-androsten-17beta-ol-3-one
15-oxo-ETE(1-)
A polyunsaturated oxo fatty acid anion that is the conjugate base of 15-oxo-ETE.
12-oxo-ETE(1-)
A oxo fatty acid anion that is the conjugate base of 12-oxo-ETE, obtained by deprotonation of the carboxy group.
(8Z,11Z,14Z,17Z)-3-oxo-icosa-8,11,14,17-tetraenoate
leukotriene A4(1-)
The leukotriene anion that is the conjugate base of leukotriene A4 arising from deprotonation of the carboxylic acid group. Major microspecies at pH 7.3.
5-oxo-ETE(1-)
A long-chain fatty acid anion that is the conjugate base of 5-oxo-ETE, obtained by deprotonation of the carboxy group.
15(R)-Hepe(1-)
An icosanoid anion that is the conjugate base of 15(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
(5Z,8Z,11Z,14Z,16E)-18-hydroxyicosa-5,8,11,14,16-pentaenoate
20-Oxoarachidonate
A polyunsaturated fatty acid anion that is the conjugate base of 20-oxoarachidonic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
eoxin A4(1-)
A polyunsaturated fatty acid anion that is the conjugate base of eoxin A4, obtained by deprotonation of the carboxy group; major species at pH 7.3.
17(S),18(R)-EETeTr(1-)
A 17,18-EETeTr(1-) in which the epoxy group has (17S,18R)-configuration.
11-oxo-ETE(1-)
A polyunsaturated oxo fatty acid anion that is the conjugate base of 11-oxo-ETE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
17,18-EETeTr(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 17,18-EETeTr, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(6E,8Z,11Z,14Z,17Z)-5-hydroxyicosa-6,8,11,14,17-pentaenoate
(5Z,8Z,11Z,14Z,17Z)-20-hydroxyicosa-5,8,11,14,17-pentaenoate
11(R)-Hepe(1-)
An icosanoid anion that is the conjugate base of 11(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
(5Z,8Z,11Z,14Z,17Z)-19-hydroxyicosa-5,8,11,14,17-pentaenoate
18(S)-Hepe(1-)
An 18-HEPE(1-) that is the conjugate base of 18(S)-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
15(S)-Hepe(1-)
A HEPE(1-) that is the conjugate base of 15(S)-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
17(R),18(S)-EETeTr(1-)
A 17,18-EETeTr(1-) in which the epoxy group has (17R,18S)-configuration.
(5Z)-7-{(2R,3Z)-3-[(2Z,5Z)-undeca-2,5-dien-1-ylidene]oxiran-2-yl}hept-5-enoate
(5Z,8Z,10E,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoate
(5Z,7E,11Z,14Z,17Z)-9-hydroxyicosa-5,7,11,14,17-pentaenoate
(2R,7S,10S)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
(3Z,6Z,9Z,12Z,15Z)-N-(2-hydroxyethyl)octadeca-3,6,9,12,15-pentaenamide
butenafine
D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents C254 - Anti-Infective Agent > C514 - Antifungal Agent
19-HEPE(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 19-HEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoate
An EpETE(1-) that is the conjugate base of (5Z,11Z,14Z,17Z)-8,9-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoate
An EpETE(1-) that is the conjugate base of (5Z,8R,9Z,11Z,14Z)-8,9-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-one
9-HEPE(1-)
A HEPE(1-) that is the conjugate base of 9-HEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
8-oxo-ETE(1-)
An unsaturated fatty acid anion that is the conjugate base of 8-KETE, obtained by deprotonation of the carboxy group.
5-HEPE(1-)
An icosanoid anion that is the conjugate base of 5-HEPE arising from deprotonation of the carboxylic acid function; major species at pH 7.3.
18(R)-HEPE(1-)
An icosanoid anion that is the conjugate base of 18(R)-HEPE arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
18-HEPE(1-)
An icosanoid anion that is the conjugate base of 18-HEPE, arising from deprotonation of the carboxylic acid group; major species at pH 7.3.
20-HEPE(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 20-HEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
12-HEPE(1-)
A HEPE(1-) that is the conjugate base of 12-HEPE, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoate
An EpETE(1-) that is the conjugate base of (5Z,8Z,14Z,17Z)-11,12-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(5Z,8Z,11Z,17Z)-14,15-Epoxyicosatetraenoate
An EpETE(1-) that is the conjugate base of (5Z,8Z,11Z,17Z)-14,15-epoxyicosatetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Sphingosine (t18:0)
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(1r,2r,7s,9r,10r)-1-[(2r)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecane
(2S, 3 S, 4R)-2-(sixteen carbon amido)- octadecane-1,3,4-triol
{"Ingredient_id": "HBIN006707","Ingredient_name": "(2S, 3 S, 4R)-2-(sixteen carbon amido)- octadecane-1,3,4-triol","Alias": "NA","Ingredient_formula": "C18H39NO3","Ingredient_Smile": "CCCCCCCCCCCCCCC(C(C(CO)N)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42986","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
aliphatic
{"Ingredient_id": "HBIN015131","Ingredient_name": "aliphatic","Alias": "NA","Ingredient_formula": "C17H39N3O2","Ingredient_Smile": "CCCCCCCC(C)(C)OCC1CO1.C(CNCCN)N","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33708","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
