Exact Mass: 314.2821
Exact Mass Matches: 314.2821
Found 259 metabolites which its exact mass value is equals to given mass value 314.2821,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
12,13-DiHOME
12,13-DHOME (CAS: 263399-35-5), also known as 12,13-dihydroxy-9-octadecenoic acid or 12,13-DiHOME, is the epoxide hydrolase metabolite of the leukotoxin 12,13-EpOME. 12,13-EpOME acts as a protoxin, with the corresponding epoxide hydrolase 12,13-DHOME specifically exerting toxicity. Both the EpOME and the DHOME are shown to have neutrophil chemotactic activity. 12,13-DHOME suppress the neutrophil respiratory burst by a mechanism distinct from that of respiratory burst inhibitors such as cyclosporin H or lipoxin A4, which inhibit multiple aspects of neutrophil activation. 12,13-DHOME is a derivative of the linoleic acid diol that has been reported to be toxic in human tissue preparations. 12,13-DHOME is a naturally occurring proliferator-activated receptor (PPAR) gamma2 ligand, which stimulates adipocytes and inhibits osteoblast differentiation (PMID: 17435320, 12021203, 12127265). 12,13-DHOME is the epoxide hydrolase metabolite of the leukotoxin12,13-EpOME. 12,13-EpOMEs act as a protoxin, with the corresponding epoxide hydrolase 12,13-DiHOME specifically exerting toxicity. Both the EpOME and the DiHOME are shown to have neutrophil chemotactic activity. 12,13-DiHOME suppress the neutrophil respiratory burst by a mechanism distinct from that of respiratory burst inhibitors such as cyclosporin H or lipoxin A4,which inhibit multiple aspects of neutrophil activation. 12,13-DHOME is a derivative of linoleic acid diol that have been reported to be toxic in humans tissue preparations. 12,13-DHOME is a naturally occurring proliferator-activated receptor (PPAR) gamma2 ligand, which stimulates adipocytes and inhibits osteoblast differentiation. (PMID: 17435320, 12021203, 12127265) [HMDB]
9,10-DiHOME
9,10-Dihydroxy-12-octadecenoic acid (CAS: 263399-34-4), also known as 9,10-DHOME, is a derivative of linoleic acid diol and has been reported to be toxic in humans tissue preparations. 9,10-DHOME is a naturally occurring proliferator-activated receptor (PPAR) gamma2 ligand, which stimulates adipocytes and inhibits osteoblast differentiation. 9,10-DHOME is the epoxide hydrolase metabolite of the leukotoxin 9,10-EpOME. 9,10-EpOME act as a protoxin, with the corresponding epoxide hydrolase metabolite 9,10-DHOME, specifically exerting toxicity. Both 9,10-EpOME and 9,10-DHOME are shown to have neutrophil chemotactic activity. 9,10-DHOME suppresses the neutrophil respiratory burst by a mechanism distinct from that of respiratory burst inhibitors such as cyclosporin H or lipoxin A4, which inhibit multiple aspects of neutrophil activation (PMID: 12021203, 12127265, 17435320). 9,10-DHOME is found in fruits and can be isolated from the seeds of Cucurbita pepo. 9,10-DHOME is a derivative of linoleic acid diol that have been reported to be toxic in humans tissue preparations. 9,10-DHOME is a naturally occurring proliferator-activated receptor (PPAR) gamma2 ligand, which stimulates adipocytes and inhibits osteoblast differentiation. 9,10-DHOME is the epoxide hydrolase metabolite of the leukotoxin 9,10--EpOME. 9,10-EpOMEs act as a protoxin, with the corresponding epoxide hydrolase 9,10-DiHOME specifically exerting toxicity. Both the 9,10-EpOME and the 9,10-DiHOME are shown to have neutrophil chemotactic activity. 9,10-DiHOME suppress the neutrophil respiratory burst by a mechanism distinct from that of respiratory burst inhibitors such as cyclosporin H or lipoxin A4,which inhibit multiple aspects of neutrophil activation. (PMID: 12021203, 12127265, 17435320) [HMDB]
7S,8S-DiHOME
9,10-Epoxy-18-hydroxy-octadecanoic acid
9,10-epoxy-18-hydroxy-octadecanoic acid, also known as 9,10-epoxy-18-hydroxystearate, is a member of the class of compounds known as medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 9,10-epoxy-18-hydroxy-octadecanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 9,10-epoxy-18-hydroxy-octadecanoic acid can be found in a number of food items such as wheat, deerberry, common beet, and rocket salad, which makes 9,10-epoxy-18-hydroxy-octadecanoic acid a potential biomarker for the consumption of these food products.
10S-hydroperoxy-8E-octadecenoic acid
Dibutyl decanedioate
Dibutyl decanedioate, also known as DBS or butyl sebacate, belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Dibutyl decanedioate is a potentially toxic compound. Flavouring ingredient used in fruit food flavouring
ctadecanedioate (C18-DC)
Octadecanedioic acid, also known as 1,18-octadecanedioate or octadecane-1,18-dioate, 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. In the case of octadecanedioic acid, it has carboxyl groups at both ends of the chain, not just one. Octadecanedioic acid is a very hydrophobic molecule, practically insoluble (in water). Octadecanedioic acid is a long-chain dicarboxylic acid normally not found in humans that has been identified in the blood serum in Reyes syndrome patients (PMID: 3746531). There may also be an association with colorectal cancer (PMID: 25037050). Octadecanedioic acid is a long-chain dicarboxylic acid normally not found in humans that has been identified in blood serum in Reyes syndrome patients (PMID 3746531) [HMDB] Octadecanedioic acid, an endogenous metabolite, is a long-chain dicarboxylic acid that has been found in serum free fatty acid profile in Reye syndrome[1]. Octadecanedioic acid, an endogenous metabolite, is a long-chain dicarboxylic acid that has been found in serum free fatty acid profile in Reye syndrome[1].
9,10-Epoxyoctadecanoic acid
9,10-Epoxyoctadecanoic acid (CAS: 3233-92-9), also known as 9,10-epoxystearate, belongs to the class of organic compounds known as linoleic acids and derivatives. These are derivatives of linoleic acid. Linoleic acid is a polyunsaturated omega-6 18 carbon long fatty acid, with two CC double bonds at the 9- and 12-positions. 9,10-Epoxyoctadecanoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 9,10-Epoxyoctadecanoic acid is an epoxy fatty acid. Epoxy fatty acids bear an oxirane ring that shares a CC-bond with the aliphatic chain. The cis-9,10-epoxyoctadecanoic acid has been found in liver microsomes and is believed to originate from CYP-catalyzed epoxidation of oleic acid.
1,20-Eicosanediol
1,20-Eicosanediol is found in pomes. 1,20-Eicosanediol occurs in Carnauba wax and apple wax. Occurs in Carnauba wax and apple wax. 1,20-Eicosanediol is found in pomes.
13-HDoHE
13-HDoHE is an autoxidation product of docosahexaenoic acid DHA. 13-HDoHE is a long-chain polyunsaturated fatty acid that is any docosahexaenoic acid bearing a single hydroxy substituent. An oxidation product of docosahexaenoic acid metabolism. (CHEBI:72790)
3-hydroxypristanic acid
3-Hydroxypristanic acid fatty acid that is formed via hydroxylation of pristanic acid at the 3-poisition. This reaction has been found to occur in the human liver.
cis-4-Decenoylcarnitine
cis-4-Decenoylcarnitine is an acylcarnitine. More specifically, it is an cis-4-decenoic 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. cis-4-Decenoylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine cis-4-decenoylcarnitine 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. In particular cis-4-decenoylcarnitine is elevated in the blood or plasma of individuals with overweight (PMID: 30322392). It is also decreased in the blood or plasma of individuals with schizophrenia (PMID: 31161852) and familial mediterranean fever (PMID: 29900937). cis-4-Decenoylcarnitine has also been identified in the human placenta (PMID: 32033212 ). 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].
2-(Octadecyloxy)ethanol
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
Conarrhimin|Conarrhimin (3beta-Amino-N-desmethyl-con-5-enin)|conarrhimine|Connarrhimin
dihydroplakortin|endoperoxide 9,10-dihydroplakortin
wrightiamine A
A steroid alkaloid isolated from Wrightia javanica and has been shown to exhibit antineoplastic activity.
(Z)-15-Docosene-1,3-diyn-5-one|docos-15-cis-ene-1,3-diyn-5-one|docos-15c-ene-1,3-diyn-5-one
9,10-DiHOME
A DiHOME obtained by formal dihydroxylation of the 9,10-double bond of octadeca-9,12-dienoic acid (the 12Z-geoisomer).
8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid
Octadecanedioic acid
An alpha,omega-dicarboxylic acid that is octadecane in which both terminal methyl groups have been replaced by carboxy groups. Octadecanedioic acid, an endogenous metabolite, is a long-chain dicarboxylic acid that has been found in serum free fatty acid profile in Reye syndrome[1]. Octadecanedioic acid, an endogenous metabolite, is a long-chain dicarboxylic acid that has been found in serum free fatty acid profile in Reye syndrome[1].
(9xi,10xi,12xi)-9,10-Dihydroxy-12-octadecenoic acid
8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based on: CCMSLIB00000846585]
8-hydroxy-8-(3-octyloxiran-2-yl)octanoic acid [IIN-based: Match]
FA 18:1;O2
Octadecanedioic acid, an endogenous metabolite, is a long-chain dicarboxylic acid that has been found in serum free fatty acid profile in Reye syndrome[1]. Octadecanedioic acid, an endogenous metabolite, is a long-chain dicarboxylic acid that has been found in serum free fatty acid profile in Reye syndrome[1].
4-[(trans,trans)-4-Butyl[1,1-bicyclohexyl]-4-yl]phenol
2-Hydroxynonadecanoic acid
A 2-hydroxy fatty acid that is nonadecanoic acid substituted by a hydroxy group at position 2.
8-[(2S,3R)-3-(8-Hydroxyoctyl)oxiran-2-yl]octanoic acid
19-Hydroxynonadecanoic acid
An omega-hydroxy fatty acid that is nonadecanoic acid in which one of the hydrogens of the terminal methyl group has been replaced by a hydroxy group.
5,9,13,17-Tetramethyloctadeca-2,4,8,12,16-pentaenal
[3-carboxy-2-[(E)-dec-4-enoyl]oxypropyl]-trimethylazanium
[(2R)-3-carboxy-2-[(Z)-dec-4-enoyl]oxypropyl]-trimethylazanium
(3-Carboxy-2-dec-9-enoyloxypropyl)-trimethylazanium
[3-carboxy-2-[(Z)-dec-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-dec-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-8-methylnon-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-dec-3-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-dec-6-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-dec-7-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-dec-5-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-dec-8-enoyl]oxypropyl]-trimethylazanium
[(E)-2-(carboxymethyl)-2-hydroxy-3-oxododec-4-enyl]-trimethylazanium
[1-(3-Phenylpropyl)-4-piperidinyl]-(1-piperidinyl)methanone
[(2R,3S,4S)-4-[(cyclobutylmethylamino)methyl]-1-(cyclopropylmethyl)-3-phenyl-2-azetidinyl]methanol
[(2R,3S,4R)-4-[(cyclobutylmethylamino)methyl]-1-(cyclopropylmethyl)-3-phenyl-2-azetidinyl]methanol
[(2S,3S,4S)-4-[(cyclobutylmethylamino)methyl]-1-(cyclopropylmethyl)-3-phenyl-2-azetidinyl]methanol
[(2S,3R,4S)-4-[(cyclobutylmethylamino)methyl]-1-(cyclopropylmethyl)-3-phenyl-2-azetidinyl]methanol
(18R)-18-hydroxynonadecanoic acid
An (omega-1)-hydroxy fatty acid that is nonadecanoic acid in which the 18-pro-R hydrogen is replaced by a hydroxy group.
(2R,3R)-2-ethyl-3-hydroxy-4-[2-[(4S,5S)-4-methoxy-5-methylheptan-2-yl]cyclopropyl]butanoic acid
Tetradecanoic acid, 12-methyl, trimethylsilyl ester
[1-hydroxy-3-[(Z)-tridec-9-enoxy]propan-2-yl] acetate
9,10-epoxy-18-hydroxyoctadecanoic acid
An epoxy fatty acid that is 9,10-epoxyoctadecanoic acid (9,10-epoxystearic acid) carrying an additional hydroxy substituent at position 18.
12,13-DHOA
A DiHOME obtained by formal dihydroxylation of the 12,13-double bond of octadeca-9,12-dienoic acid (the 9Z-geoisomer).
(9R,10S)-9,10-epoxy-18-hydroxyoctadecanoic acid
A 9,10-epoxy-18-hydroxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have R- and S-configuration respectively.
(9S,10R)-9,10-epoxy-18-hydroxyoctadecanoic acid
A 9,10-epoxy-18-hydroxyoctadecanoic acid in which the chiral centres at positions 9 and 10 have S- and R-configuration respectively.
10-hydroperoxy-8E-octadecenoic acid
A hydroperoxy fatty acid that is 10-hydroperoxy derivative of (8E)-octadecenoic acid.
9-hydroperoxy-10E-octadecenoic acid
A hydroperoxy fatty acid that is 9-hydroperoxy derivative of (10E)-octadecenoic acid.
(6Z,9Z,12Z,15Z)-tricosa-1,6,9,12,15-pentaene
An alkapentaene that is tricos-1-ene with 4 cis double bonds at positions 6,9,12 and 15.
(8E,10S)-10-hydroperoxy-8-octadecenoic acid
A hydroperoxy fatty acid that is the (10S)-hydroperoxy derivative of (8E)-octadecenoic acid.
methyl 2-[(3r,4s,6r)-4-ethyl-6-[(2s)-2-ethylhexyl]-6-methyl-1,2-dioxan-3-yl]acetate
(5R,8R,9R,10R,13R,14R)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15-decahydrocyclopenta[a]phenanthren-3-one
{"Ingredient_id": "HBIN011914","Ingredient_name": "(5R,8R,9R,10R,13R,14R)-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15-decahydrocyclopenta[a]phenanthren-3-one","Alias": "NA","Ingredient_formula": "C22H34O","Ingredient_Smile": "NA","Ingredient_weight": "314.5","OB_score": "15.18728","CAS_id": "102848-61-3","SymMap_id": "SMIT03494","TCMID_id": "NA","TCMSP_id": "MOL001012","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
