Exact Mass: 336.273227
Exact Mass Matches: 336.273227
Found 500 metabolites which its exact mass value is equals to given mass value 336.273227
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pregnanetriol
Pregnanetriol is a metabolite of 17-ALPHA-HYDROXYPROTESTERONE, normally produced in small quantities by the GONADS and the ADRENAL GLANDS, found in URINE. An elevated urinary pregnanetriol is associated with CONGENITAL ADRENAL HYPERPLASIA with a deficiency of STEROID 21-HYDROXYLASE. A metabolite of 17-ALPHA-HYDROXYPROTESTERONE, normally produced in small quantities by the GONADS and the ADRENAL GLANDS, found in URINE. An elevated urinary pregnanetriol is associated with CONGENITAL ADRENAL HYPERPLASIA with a deficiency of STEROID 21-HYDROXYLASE. [HMDB] D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
Docosadienoate (22:2n6)
(13Z,16Z)-Docosadienoic acid, also known as docosadienoate or C22:2N-6,9, belongs to the class of organic compounds known as very-long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. (13Z,16Z)-Docosadienoic acid is a very hydrophobic molecule that is practically insoluble (in water) and is relatively neutral. (13Z,16Z)-Docosadienoic acid can be found in feces.
Isolinderanolide
Constituent of Lindera benzoin (spicebush) berries. Isolinderanolide is found in tea, herbs and spices, and fruits. Linderanolide is found in fruits. Linderanolide is a constituent of Lindera benzoin (spicebush) berries.
3-Methyl-5-pentyl-2-furanundecanoic acid
3-methyl-5-pentyl-2-furanundecanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3-methyl-5-pentyl-2-furanundecanoic acid, in particular, can be described by the shorthand notation 11M5. This refers to its 11-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 5-carbon alkyl moiety. It is a constituent of fats of the liver and gonads of fishes, e.g. pike (Esox lucius). Constituent of fats of the liver and gonads of fishes, e.g. pike (Esox lucius). 3-Methyl-5-pentyl-2-furanundecanoic acid is found in fishes.
3,4-Dimethyl-5-pentyl-2-furandecanoic acid
3,4-Dimethyl-5-pentyl-2-furandecanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3,4-Dimethyl-5-pentyl-2-furandecanoic acid, in particular, can be described by the shorthand notation 10D5. This refers to its 10-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 5-carbon alkyl moiety. It has been identified in the fish liver.
5-Butyl-3,4-dimethyl-2-furanundecanoic acid
5-Butyl-3,4-dimethyl-2-furanundecanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Butyl-3,4-dimethyl-2-furanundecanoic acid, in particular, can be described by the shorthand notation 11D4. This refers to its 11-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 4-carbon alkyl moiety. It has been identified in the fish liver.
3,4-Dimethyl-5-propyl-2-furandodecanoic acid
3,4-Dimethyl-5-propyl-2-furandodecanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3,4-Dimethyl-5-propyl-2-furandodecanoic acid, in particular, can be described by the shorthand notation 12D3. This refers to its 12-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 3-carbon alkyl moiety. It has been identified in the fish liver.
3-Methyl-5-propyl-2-furantridecanoic acid
3-Methyl-5-propyl-2-furantridecanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 3-Methyl-5-propyl-2-furantridecanoic acid, in particular, can be described by the shorthand notation 13M3. This refers to its 13-carbon carboxyalkyl moiety, the methyl substitution in the 3-position of its furan moiety, and its 3-carbon alkyl moiety.
5-Hexyl-3,4-dimethyl-2-furannonanoic acid
5-Hexyl-3,4-dimethyl-2-furannonanoic acid is a furan fatty acid (F-acid). F-acids are heterocyclic fatty acids containing a central furan moiety with a carboxylalkyl chain (mostly 7, 9, 11, or 13 carbons) in the 2-position and an alkyl chain (mostly 3 or 5 carbons) in the 5-position. Despite being found in low concentrations in food lipids, they are excellent antixoxidants and radical scavengers. This allows them to play an important role in preventing lipid peroxidation and protecting polyunsaturated fatty acids. They are often incorporated into phospholipids and cholesterol esters of fish and other marine organisms. 5-Hexyl-3,4-dimethyl-2-furannonanoic acid, in particular, can be described by the shorthand notation 9D6. This refers to its 9-carbon carboxyalkyl moiety, the dimethyl substitutions in the 3- and 4-positions of its furan moiety, and its 6-carbon alkyl moiety. It has been identified in the crayfish hepatopancreas.
3,17,20-Trihydroxypregnane
2alpha-methoxyclerod-3-en-15-oic acid|alpha-Methoxypopulifolic acid
15,16-Dihydro-3-(15-Hexadecynylidene)dihydro-4-hydroxy-5-methyl-2(3H)-furanone|isoduhydromahubenolide A
14,15-Didehydro(E-)-5-Hexadecyl-5-methyoxy-2(5H)-furanone
Me ester-(ent-4xi,13E)-4-Hydroxy-13-cleroden-15-oic acid
ethyl (4R*,5S*,6E,8Z)-4-((E)-but-1-enyl)-5-hydroxypentadeca-6,8-dienoate
ent-3beta,7alpha,18-Trihydroxy-15beta,16-epoxy-kauran
13S,14S-Epoxide-(8alpha,12R,13E)-8,12-Epoxy-13-labdene-15,16-diol
(9beta,16alpha)-9,16,17-trihydroxy-ent-kauran-2-one
(ent-6alpha)-6,17-Dihydroxy-3,4-seco-15-beyeren-3-oic acid|Ent-6alpha.17-dihydroxy-3.4-secobeyer-15-en-3-oic-saeure
(1R*,2S*,3R*,4S*,7S*,8S*,11R*,12S*)-1,3-epoxy-4,8-dihydroxybasman-6-one
(5R,13(15)E,16Z)-13(15),16-Spatadiene-5,14,18,19-tetrol
(ent-2??,7??,13E) 2,7-Dihydroxy-3,13-clerodadien-15-oic acid
Delta10,13-Docosadiensaeure|docosa-11,14-dienoic acid|Docosa-11,14-diensaeure
2beta,14beta,15alpha,18-tetrahydroxy-ent-kaur-16-ene|pterokaurane M2
ent-17,18-dihydroxykauran-19-oic acid|Siegesbeckic acid
(4R,5R,6R)-4,5-epoxy-11-hydroxygermacr-1(10)-en-6-yl (Z)-2-methylbut-2-enoate
2-Hydroxy-5-methoxy-3-tridecylcyclohexa-2,5-diene-1,4-dione
(10E)-3,12-dihydroxy-3,7,11,15-tetramethyl-1,10,14-hexadecatrien-5,13-dione
(Z)-2-Methylbut-2-enoic acid (1R,2S,4aR,7R,8aR)-1-hydroxy-7-isopropyl-1,4a-dimethyl-6-oxodecahydronaphthalen-2-yl ester|3beta-angeloyloxy-4beta-hydroxy-7alpha-H-eudesman-8-one|3beta-Angeloyloxy-4beta-hydroxyeudesman-8-one
1beta,6alpha,7alpha,9alpha-tetrahydroxypimara-8(14),15-diene|spaeropsidin F|sphaeropsidin F
(5Z,8Z,10E,12S,14Z,19R)-12,19-Dihydroxy-5,8,10,14-eicosatetraenoic acid|(5Z,8Z,10E,12S,14Z,19S)-12,19-Dihydroxy-5,8,10,14-eicosatetraenoic acid
(2S,13R)-2,13-dihydroxy-1(10),14-ent-halimadien-18-oic acid
(13E)-15, 16-Dihydroxy-8(17), 13-labdadien-19-oic acid
7beta,13S-dihydroxylabda-8(17),14-dien-19-oic acid
(3beta,5alpha,14beta,17alpha,20xi)-form----Pregnane-3,14,20-triol,
13beta,15,18-trihydroxyabiet-8(14)-en-7-one|13beta,18-dihydroxy-8(14)-abieten-7-one
3beta,7beta,14-trihydroxy-15,16-epoxylabda-8(17),12Z-dien|coronarin I
(2S,7S,8R,11S,12R,3E)-8,12-dihydroxy-7,11:2,16-bisepoxycembra-1(15),3-diene|crassumol B
(1R,2R,6R,7R,8R,9R,10S,12S)-6-isopropyl-3,9-dimethyl-13-methylene-15-oxatricyclo[6.6.1.02,7]pentadec-3-ene-9,10,12-triol|4alpha-hydroxycladieunicellin A|cladieunicellin B
15,16-epoxy-labda-13(16),14-dieno-6beta,7beta,9alpha-triol|15,16-epoxylabda-13(16),14-diene-6beta,7beta,9alpha-triol
4-Hydroxy-2,5,5,8a-tetramethyl-3,4,4,5-tetrahydrodispiro[decalin-1,2(5H)-furan-5,3(2H)-furan]-2-one
(1R*,3S*,4S*,7S*,8S*,11R*,14R*,12E)-3,4:7,8-diepoxydolabell-12-ene-14,18-diol
rel-(6S,7R,8S,9R)-6-methoxy-5(10),14-halimadien-7,13-diol|vitetrifolin H
3alpha,7alpha,14beta-trihydroxy-16beta-methyl-ent-kaur-15-one|glaucocalyxin J
13beta,14beta-dihydroxyabieta-8(9)-en-19-oic acid|jiadifenoic acid F
(rel-5S,6R,8R,9R,10S,13S)-6-hydroxy-9,13-epoxylabda-15,16-olide|vitextrifolin F
2,3-dihydroxy-haliman-5,13Z-diene-15-oic acid|salicifolic acid
9,13-epoxy-15,16-dihydroxylabd-5-en-7-one|leoleorin I|leonurenone A
(1S,2S,4aS,4bS,8R,8aR,10aS)-4a,10a-epoxy-dodecahydro-1-hydroxy-4b,8-dimethyl-2-(1-methylethyl)-phenanthrene-8-carboxylic acid|(8alpha,13beta,14alpha)-8,9-epoxy-14-hydroxyabietan-18-oic acid|8alpha,9alpha-epoxysuaveolic acid
(1S,2R,4aS,5S,8aR)-octahydro-1-[(3S)-3-hydroxy-3-methylpent-4-en-1-yl]-5,8a-dimethylspiro[naphthalene-2(1H)2?-oxirane]-5-carboxylic acid|8,20-epoxy-13-hydroxy-ent-labd-14-en-18-oic acid|labdorffianic acid B
3,4-seco-12RS,13SR-dihydroxy-4(18),8(17),14(15)-labdatrien-3-oic acid
(rel-3S,5S,8R,9R,10S)-3,9-dihydroxy-13(14)-labden-16,15-olide
2beta,3beta,16-trihydroxy-ent-pimar-8(14)-en-15-one|ent-2alpha, 3alpha, 16-Trihydroxy-8(14)-pimaren-15-one|flickinflimbrol A
(1R,3R,4aS,6aS,8R,10aR,10bR)-3-ethenyldodecahydro-1,8-dihydroxy-3,4a,7,7,10a-pentamethyl-9H-benzo[f]chromen-9-one|agallochaexcoerin C
methyl ent-8alpha,16-dihydroxylabdan-6,13E-dien-15-oate
1alpha,5beta,11beta-trihydroxy-7-oxo-ros-15-ene|1??,5??,11??-Trihydroxy-7-oxo-ros-15-ene
(ent-14alpha,16beta)-14,16,17-Trihydroxy-3-atisanone
2beta,3alpha,9xi,13xi-tetrahydroxy-1(15),8(19)-trinervitadiene
5-methyl-5-(4,8,12-trimethyltridecyl)dihydrofuran-2-one
ent-2alpha,13,14alpha,15beta-Tetrahydroxykaur-16-en
ent-3beta,18-Dihydroxylabda-8(17),13E-dien-15-oic acid
(5beta,7alpha,8alpha,9beta,10alpha,11beta,13alpha,14R,16beta)-7,11,14-trihydroxykauran-15-one|(7alpha,11beta,14beta,16R)-7,11,14-trihydroxy-ent-kaur-15-one
6,7-epoxy-19-hydroxy-12-oxo-6,7-dihydrogeranyl nerol
(5R,15xi,16E,18xi)-13,16-Spatadiene-5,15,18,19-tetrol|5(R),15,18(R and S),19-tetrahydroxyspata-13,16(E)-diene|5(R),15,18(R/S)-trihydroxyspata-13,16-diene|5(R),15,18,19-tetrahydroxyspata-13,16(E)-diene
(13S)-ent-7beta-hydroxy-2-oxo-3-cleroden-15-oic acid|ent-7??-Hydroxy-2-oxo-3-cleroden-15-oic acid
5beta,9betaH,10alpha,3,4-seco-labd-7,13(Z)-dien-3,15,dioic acid|ent-3,4-Seco-7,13-labdadiene-3,15-dioic acid
4,5-epoxy-6beta-hydroxy-3beta-senecioyloxy-germacr-1(10)-ene
(ent-7beta,13?鈥?-form-7,18-Dihydroxy-3-cleroden-15,16-olide|15,16-epoxy-7alpha,18-dihydroxy-15-oxo-ent-cleroda-3-ene
ent-15-oxo-2beta,16,19-trihydroxypimar-8(14)-ene|ent-15-Oxo-2??,16,19-trihydroxypimar-8(14)-ene
(4alpha,16alpha)-16,17,19-trihydroxy-ent-kauran-2-one
2-(10-Oxoundecyl)-3-methyl-5-ethyl-6-methoxy-4H-pyran-4-one
(3alpha,11alpha,14alpha)-14,16-epoxypimar-7-ene-3,11,15-triol|(3aR,5aR,7R,9aS,9bR,10R,11aR)-1,2,3a,5,5a,6,7,8,9,9a,9b,10,11,11a-tetradecahydro-6,6,9a,11a-tetramethylphenanthro[1,2-b]-furan-1,7,10-triol|agallochaol D
3alpha,7beta,17,18-tetrahydroxy-ent-kaur-15-en; Isoleucanthol|Isoleucanthol
(3S,6E)-8-formyl-3,7-dimethyloct-6-en-1-yl (3S,6E)-8-formyl-3,7-dimethyloct-6-en-1-oate|obtusal A
(3R,6S)-6,8-dihydroxy-3-(6-hydroxyundecyl)-3,4-dihydroisocoumarin
13,14,15,16-tetranor-12,17-diacetoxy-7-labdene|Di-Ac-13,14,15,16-Tetranor-7-labdene-12-17-diol
3-Pentanone, 1-(decahydro-1,7-dihydroxy-6,9a-dimethyl-4-methylene-4a,7-epoxy-4aH-benzocyclohepten-6-yl)-4-methyl-, (1.alpha.,4a.alpha.,6.beta.,7.alpha.,9a.beta.)-(-)-
2alpha,7alpha-Dihydroxy-8(17),13Z-labdadien-15-oic acid
7-(4-butyl-2,5-dioxo-3,3a,4,6,7,7a-hexahydro-1H-inden-1-yl)heptanoic acid
(Z)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid
Prostaglandin A1
Prostaglandin A1 is a prostaglandins A. It is a conjugate acid of a prostaglandin A1(1-).
C20H32O4_1-Naphthalenecarboxylic acid, decahydro-5-[(3E)-5-hydroxy-3-(hydroxymethyl)-3-penten-1-yl]-1,4a-dimethyl-6-methylene
C20H32O4_2-Furanacetic acid, 5-ethenyltetrahydro-alpha,5-dimethyl-, (2Z)-6-hydroxy-2,6-dimethyl-2,7-octadien-1-yl ester
C20H32O4_1-Naphthalenepentanoic acid, 5-carboxydecahydro-beta,5,8a-trimethyl-2-methylene
14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid
A9PE2C
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); The position of the carboxylic group was assigned arbitrarily; locations of branching points are undetermined; Digitised from figure: approximate intensities
5-HpETE
A HPETE that consists of (6E,8Z,11Z,14Z)-icosatetraenoic acid in which the hydroperoxy group is located at position 5. An icosatetraenoic acid in which the double bonds are located at the 6-7, 8-9, 11-12, and 14-15 positions and have E, Z, Z, and Z geometry, respectively, and in which the pro-S hydrogen is substituted by a hydroperoxy group. CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001297.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_0001297.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_0001297.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_0001297.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_0001297.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_0001297.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
LTB4-[d4]
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0145.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_1min0145.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_1min0145.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_0001331.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_0001331.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_0001331.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_0001331.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_0001331.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_0001331.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
5,12-DiHETE
CONFIDENCE standard compound; NATIVE_RUN_ID QExHF03_NM_0001299.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_0001299.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_0001299.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_0001299.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_0001299.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_0001299.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
5,6-DiHETE
CONFIDENCE standard compound; NATIVE_RUN_ID STD_neg_MSMS_1min0116.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_1min0116.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_1min0116.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_0001301.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_0001301.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_0001301.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_0001301.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_0001301.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_0001301.mzML; PROCESSING averaging of repeated ion fragments at 20.0 NCE within 5 ppm window [MS, MS:1000575, mean of spectra, ]
6-trans-Leukotriene B4
A leukotriene that is the 6-trans-isomer of leukotriene B4.
(2E,6E,10Z)-12-hydroxy-10-(hydroxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid_major
(Z)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid_major
[(2Z)-6-hydroxy-2,6-dimethylocta-2,7-dienyl] 2-(5-ethenyl-5-methyloxolan-2-yl)propanoate_major
(2E,6E,10Z)-12-hydroxy-10-(hydroxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid_62.1\\%
14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹⁰.0⁴,⁹]hexadecane-5-carboxylic acid_major
Ethyl 2-(3-(8-hydroxyoctyl)phenoxy)-2-methylpropanoate
14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.0¹,¹?.0?,?]hexadecane-5-carboxylic acid
9-HpETE
A HPETE in which the hydroxy group is located at position 9 with the four double bonds at positions 5, 7, 11 and 14 (the 5Z,7E,11Z,14Z geoisomer).
hepoxilin A3
A hepoxilin having (5Z,9E,14Z) double bond stereochemistry, an 8-hydroxy substituent and an 11S,12S-epoxy group.
8,12-iso-iPF2α-VI 1,5- lactone
17,18-DiHETE
A DiHETE consisting of arachidonic acid having the two hydroxy substituents located at position 17 and 18.
14-hydroperoxy-5Z,8Z,11Z,15E-eicosatetraenoic acid
(14S)-14,15-Dihydroxy-8(17),13(16)-labdadien-19-oic acid
9alpha-(3-Methylbutanoyloxy)-4S-hydroxy-10(14)-oplopen-3-one
ent-1(10)-Halimene-15,19-dioic acid
FA 22:2
A docosadienoic acid having two cis-double bonds at position 13 and 16 respectively.
FA 20:4;O2
Prostaglandin B1
A member of the class of prostaglandins B that is prosta-8(12),13-dien-1-oic acid carrying oxo and hydroxy substituents at positions 9 and 15 respectively (the 13E,15S-stereoisomer).
15-HpETE
A HPETE that consists of (5Z,8Z,11Z,13E)-icosatetraenoic acid in which the hydroperoxy group is located at position 15. D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
(E)-1-HEXENE-1,2-DIBORONIC ACID BIS(PINACOL) ESTER
tert-Butyl [(1S,2R)-1-Benzyl-2-hydroxy-3-(isobutylamino)propyl]carbamate
5-butyl-2-[4-(4-propylcyclohexyl)phenyl]pyrimidine
Pregnanetriol
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(1R,3aR,7aR)-1-((2R,5S,E)-6-(MethoxyMethoxy)-5,6-dimethylhept-3-en-2-yl)-7a-Methylhexahydro-1H-inden-4(2H)-one
Methyl N-Boc-2-bromo-5-sulfamoylbenzoate
C18H32N4S (336.23475520000005)
6BETA,7BETA-DIHYDROXY-8,13-EPOXY-LABD-14-EN-11-ONE
4,8-Dimethyl-8-hydroxy-11-(1-methylethyl)-14-oxo-5,9-pentadeca-dien-4-olide
[5S-[5R*(1E,4S*,5E,7R*)]]-Dihydro-5-[4-hydroxy-4-methyl-7-(1-methylethyl)-10-oxo-1,5-undecadienyl]-5-methyl-2(3H)-furanone
[5R-[5R*(1E,4S*,5E,7S*)]]-Dihydro-5-[4-hydroxy-4-methyl-7-(1-methylethyl)-10-oxo-1,5-undecadienyl]-5-methyl-2(3H)-furanone
3,9-Diazaspiro[5.5]undecane-3-carboxylic acid, 9-cyclopropyl-, 1,1-dimethylethyl ester
(1R,2R)-REL-1,2-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)CYCLOHEXANE
2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol
(8S)-hepoxilin A3
A hepoxilin A3 in which the stereocentre at position 8 has S-configuration
15(S)-HPETE
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides The (S)-enantiomer of 15-HPETE. 15(S)-hydroperoxyeicosatetraenoic acid (15(S)-HPETE) is the corresponding hydroperoxide of 15(S)-HETE and undergoes homolytic decomposition to the DNA-reactive bifunctional electrophile 4-oxo-2(E)-nonenal, a precursor of heptanone-etheno-2-deoxyguanosine. Reactive oxygen species convert the omega-6 polyunsaturated fatty acid arachidonic acid into (15-HPETE); vitamin C mediates 15(S)-HPETE decomposition. 15(S)-HPETE initiates apoptosis in vascular smooth muscle cells. 15(S)-HPETE is a lipoxygenase metabolite that affects the expression of cell adhesion molecules (CAMs) involved in the adhesion of leukocytes and/or the accumulation of leukocytes in the vascular endothelium, these being the initial events in endothelial cell injury. 15(S)-HPETE induces a loss of cardiomyocytes membrane integrity. 15-(S)HPETE is a hydroperoxide that enhances the activity of the enzymes lipoxygenase [EC 1.13.11.12] and Na+, K+-ATPase [EC 3.6.3.9] of brain microvessels. Lipoxygenase(s) and Na+-K+-ATPase of brain microvessels may play a significant role in the occurrence of ischemic brain edema. (PMID: 15964853, 15723435, 8655602, 8595608, 2662983) [HMDB]
12-Hydroxy-10-(hydroxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid
3-(Hydroxymethyl)-5-[5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]pent-2-enoic acid
(6E,8Z,11Z,13E)-5,15-dihydroxyeicosa-6,8,11,13-tetraenoic acid
(13R)-hydroxy-(14S,15S)-epoxyicosa-(5Z,8Z,11Z)-trienoic acid
A trienoic fatty acid consisting of (5Z,8Z,11Z)-icosa-5,9,14-trienoic acid having additional (13R)-hydroxy- and (14S,15S)-epoxy groups.
(5Z,8Z,11S,12E)-11-hydroxy-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,12-trienoic acid
(5Z,8Z,11Z,13E,15R)-15-hydroperoxyicosa-5,8,11,13-tetraenoic acid
(10R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,8Z,14Z)-trienoic acid
A trienoic fatty acid consisting of (5Z,8Z,14Z)-icosa-5,9,14-trienoic acid having additional (10R)-hydroxy- and (11S,12S)-epoxy groups.
(8R)-hydroxy-(11R,12R)-epoxyicosa-(5Z,9E,14Z)-trienoic acid
A trienoic fatty acid consisting of (5Z,9E,14Z)-icosa-5,9,14-trienoic acid having additional (8R)-hydroxy- and (11R,12R)-epoxy groups.
(8R)-hydroxy-(11S,12S)-epoxyicosa-(5Z,9E,14Z)-trienoic acid
A trienoic fatty acid consisting of (5Z,9E,14Z)-icosa-5,9,14-trienoic acid having additional (8R)-hydroxy- and (11S,12S)-epoxy groups.
7-[(1R,2S)-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid
(5Z,8Z,10R)-10-hydroxy-10-[(2R,3S)-3-[(Z)-oct-2-enyl]oxiran-2-yl]deca-5,8-dienoic acid
(Z)-7-[(2S,3S)-3-[(1R,2Z,5Z)-1-hydroxyundeca-2,5-dienyl]oxiran-2-yl]hept-5-enoic acid
(5S,7E,9E,11Z,13E,15S)-5,15-dihydroxyicosa-7,9,11,13-tetraenoic acid
7-[(1R)-2-[(E)-3-hydroxyoct-1-enyl]-5-oxocyclopent-2-en-1-yl]heptanoic acid
(S-(E,Z,Z,Z))-15-Hydroperoxy-5,8,11,13-eicosatetraenoic acid
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors D009676 - Noxae > D016877 - Oxidants > D010545 - Peroxides
8,20-DiHETE
A DiHETE that is 8-HETE carrying an additional hydroxy substituent at position 20.
12(S)-HPETE
D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents The (S)-enantiomer of 12-HPETE.
(2E,4E,6E,8E)-2,3-dihydroxyicosa-2,4,6,8-tetraenoic acid
(2E,4E,6E,8E)-12-hydroperoxyicosa-2,4,6,8-tetraenoic acid
(5S,15R)-Dihydroxy-(6E,8Z,11Z,13E)-eicosatetraenoate
(3E,7E,11R,12E)-11-Hydroxy-3,7,11,15-tetramethyl-14-oxohexadeca-3,7,12-trienoic acid
(5E,8E,14E,17E)-11,12-dihydroxyicosa-5,8,14,17-tetraenoic acid
(5Z,8Z,10E,12E,14R,15S)-14,15-dihydroxyicosa-5,8,10,12-tetraenoic acid
12S,13R-dihydroxylabda-8(17),14-dien-19-oic acid
A natural product found in Metasequoia glyptostroboides.
(6E,8Z,11Z,14Z)-5,20-dihydroxyicosa-6,8,11,14-tetraenoic acid
4-Hydroxy-6-(13-methyl-2-oxotetradecyl)pyran-2-one
12S,13S-dihydroxylabda-8(17),14-dien-19-oic acid
A natural product found in Metasequoia glyptostroboides.
(5S,6Z,8E,14Z)-5-hydroxy-12-oxoicosa-6,8,14-trienoic acid
1-[2-(1-Adamantyl)ethoxy]-3-(4-methyl-1-piperazinyl)-2-propanol
7-[(1R,2S)-2-[(3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopent-3-enyl]heptanoic acid
(5Z,8Z,11Z,13S)-13-hydroxy-13-[(2S,3S)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoic acid
(5Z,8Z,11Z)-13-Hydroxy-14,15-epoxy-5,8,11-icosatrienoic acid
(5Z,9E,11Z,14Z)-8-hydroperoxyicosa-5,9,11,14-tetraenoic acid
(5Z,8Z,12E)-11-hydroxy-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,12-trienoic acid
(8S,9S)-epoxy-(10R)-hydroxyicosa-(5Z,11Z,14Z)-trienoic acid
A polyunsaturated fatty acid that is the (8S,9S)-epoxy-(10R)-hydroxy derivative of icosa-(5Z,11Z,14Z)-trienoic acid.
(7R)-hydroxy-(5S,6S)-epoxy-(8Z,11Z,14Z)-icosatrienoic acid
A trienoic fatty acid consisting of (8Z,11Z,14Z)-icosa-8,11,14-trienoic acid having additional (7R)-hydroxy- and (5S,6S)-epoxy groups.
(5Z,8Z,11Z)-13-hydroxy-13-[(2R,3S)-3-pentyloxiran-2-yl]trideca-5,8,11-trienoic acid
(5Z)-7-{3-[(2Z,5Z)-11-hydroxyundeca-2,5-dien-1-yl]oxiran-2-yl}hept-5-enoic acid
2-(1-Acetylpiperidin-4-yl)-1-(3-ethyl-3-hydroxy-7-azaspiro[3.5]nonan-7-yl)ethanone
4-{3-[(2Z,5Z,8Z)-14-hydroxytetradeca-2,5,8-trien-1-yl]oxiran-2-yl}butanoic acid
(5Z,8Z)-10-{3-[(2Z)-8-hydroxyoct-2-en-1-yl]oxiran-2-yl}deca-5,8-dienoic acid
(5Z,8Z,11Z)-13-[3-(5-hydroxypentyl)oxiran-2-yl]trideca-5,8,11-trienoic acid
methyl (8Z,11Z)-13-(3-pentyloxiran-2-yl)trideca-8,11-dienoate
(5R,6E,8Z,11Z,14Z)-5-hydroperoxyicosa-6,8,11,14-tetraenoic acid
2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxyacetic acid
3-Ethoxy-6-[1-(tetrahydro-2H-pyran-2-yl)oxy-5-methyl-4-hexenyl]-2-cyclohexen-1-one
[4aS,(+)]-3,4,4aalpha,5,6,7,8,8a-Octahydro-2xi,5-dimethyl-8abeta-methoxymethoxymethyl-5alpha-(4-methyl-3-pentenyl)naphthalene-1(2H)-one
12R-HpETE
A HPETE that is (5Z,8Z,10E,12R,14Z)-icosa-5,8,10,14-tetraenoic acid with the hydroperoxy group located at position 12 (the R-enantiomer).
8(S)-HPETE
A HPETE in which the hydroperoxy group is located at position 8S and the four double bonds at position 5, 9, 11 and 14 (the 5Z,9E,11Z,14Z-geoisomer).
(5Z,9E,14Z)-(8xi,11R,12S)-11,12-epoxy-8-hydroxyicosa-5,9,14-trienoic Acid
A C20 trienoic hydroxy fatty acid consisting of 8-hydroxyicosa-5,9,14-trienoic acid having an epoxy group at the 11,12-position.
5(S),15(S)-DIHETE
A DiHETE that is (6E,8Z,11Z,13E)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 15S-positions.
12,20-DiHETE
A DiHETE that is 12-HETE carrying an additional hydroxy substituent at position 20.
5(S),15(R)-DiHETE
A DiHETE that is (6E,8Z,11Z,13E)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 15R-positions.
hepoxilin B3
A hepoxilin having (5Z,9E,14Z) double bond stereochemistry, a 10-hydroxy substituent and an (11S,12S)-epoxy group.
5S,6S-DiHETE
5S,6R-dihydroxy-7E,9E,11Z,14Z-eicosatetraenoic acid
Delta(6)-trans,Delta(8)-cis-leukotriene B4
A leukotriene composed of (6E,8Z,10E,14Z)-icosatetraenoic acid having 5S- and 12R-hydroxy substituents.
5,15-Dihete
A DiHETE that consists of 6E,8Z,11Z,13E-icosatetraenoic acid having the two hydroxy groups located at positions 5 and 15.
9(S)-Hpete
A 9-HPETE in which the 9-hydroxy group has S stereochemistry.
(+/-)-11,12-dihydroxy-5Z,8Z,14Z,17Z-eicosatetraenoic acid
11(S)-hydroxy-14(S),15(S)-hepoxilin A3
A hepoxilin having (5Z,9E,14Z) double bond stereochemistry, an (11S)-hydroxy substituent and a 14S,15S-epoxy group.
(+/-)-8,9-dihydroxy-5Z,11Z,14Z,17Z-eicosatetraenoic acid
Docosadienoate
A fatty acid anion with 22 carbons and 2 double bonds. Major species at pH 7.3.
5,20-DiHETE
A DiHETE that is 5-HETE carrying an additional hydroxy substituent at position 20.
5(S),11(R)-DiHETE
A DiHETE that is (6E,8Z,12E,14Z)-icosatetraenoic acid in which the two hydroxy substituents are placed at the 5S- and 11R-positions.
(5S,6S)-dihydroxy-(7E,9E,11Z,14Z)-icosatetraenoic acid
A leukotriene compound having double bonds in the 7-, 9-, 11- and 14-positions and 5(S)- and 6(S)-hydroxy substituents.
8(S),15(S)-diHETE
Ab 8,15-DiHETE that is derived from (5Z,9E,11Z,13E)-icosatetraenoic acid and has (8S,15S)-stereochemistry.