Exact Mass: 534.4032513999999
Exact Mass Matches: 534.4032513999999
Found 214 metabolites which its exact mass value is equals to given mass value 534.4032513999999,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Torulene
D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids Window width to select the precursor ion was 3 Da.; CONE_VOLTAGE is 10 V.; This record was created by the financial support of MEXT/JSPS KAKENHI Grant Number 19HP8024 to the Mass Spectrometry Society of Japan.
all-trans-3,4-didehydrolycopene
All-trans-3,4-didehydrolycopene is a member of the class of compounds known as carotenes. Carotenes are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Thus, all-trans-3,4-didehydrolycopene is considered to be an isoprenoid lipid molecule. All-trans-3,4-didehydrolycopene can be found in a number of food items such as kale, giant butterbur, citrus, and ginkgo nuts, which makes all-trans-3,4-didehydrolycopene a potential biomarker for the consumption of these food products.
Pyrohyperforin
Pyrano[7,28-beta]hyperforin is found in alcoholic beverages. Pyrano[7,28-beta]hyperforin is a constituent of Hypericum perforatum (St. Johns Wort)
(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol
(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol is found in brassicas. (3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol is a constituent of Lepidium sativum (garden cress) Constituent of Lepidium sativum (garden cress). (3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol is found in brassicas.
Oleoyl-estrone
(8R,9S,13S,14S)-3-Hydroxy-13-methyl-1-octadec-9-enoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
DG(8:0/PGJ2/0:0)
DG(8:0/PGJ2/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(8:0/PGJ2/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(PGJ2/8:0/0:0)
DG(PGJ2/8:0/0:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. DG(PGJ2/8:0/0:0) is also a substrate of diacylglycerol kinase. It is involved in the phospholipid metabolic pathway.
DG(8:0/0:0/PGJ2)
DG(8:0/0:0/PGJ2) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
DG(PGJ2/0:0/8:0)
DG(PGJ2/0:0/8:0) belongs to the family of Diacylglycerols. These are glycerolipids lipids containing a common glycerol backbone to which at least one fatty acyl group is esterified. It is involved in the phospholipid metabolic pathway.
Dehydro-beta-carotene
Dehydro-beta-carotene is a member of the class of compounds known as carotenes. Carotenes are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Dehydro-beta-carotene can be found in date, which makes dehydro-beta-carotene a potential biomarker for the consumption of this food product.
Magnesium palmitate
C32H62MgO4 (534.4498351999999)
It is used as a food additive .
torulene
Torulene can be found in a number of food items such as spinach, sparkleberry, cherimoya, and rye, which makes torulene a potential biomarker for the consumption of these food products. Torulene (3,4-didehydro-beta,gamma-carotene) is a carotene (a hydrocarbon carotenoid) which is notable for being synthesized by red pea aphids (Acyrthosiphon pisum), imparting the natural red color to the aphids, which aids in their camouflage and escape from predation. The aphids have gained the ability to synthesize torulene by horizontal gene transfer of a number of genes for carotenoid synthesis, apparently from fungi. Plants, fungi, and microorganisms can synthesize carotenoids, but torulene made by pea aphids is the only carotenoid known to be synthesized by an organism in the animal kingdom . Torulene can be found in a number of food items such as spinach, sparkleberry, cherimoya, and rye, which makes torulene a potential biomarker for the consumption of these food products. Torulene (3,4-didehydro-β,γ-carotene) is a carotene (a hydrocarbon carotenoid) which is notable for being synthesized by red pea aphids (Acyrthosiphon pisum), imparting the natural red color to the aphids, which aids in their camouflage and escape from predation. The aphids have gained the ability to synthesize torulene by horizontal gene transfer of a number of genes for carotenoid synthesis, apparently from fungi. Plants, fungi, and microorganisms can synthesize carotenoids, but torulene made by pea aphids is the only carotenoid known to be synthesized by an organism in the animal kingdom .
3,4-dehydro-beta,beta-carotene|3,4-Dehydro-beta-carotin|3,4-didehydro-beta,beta-carotene|3,4-Didehydro-beta,beta-carotin
(20S)-3??-Acetoxy-12??,16??,25-tetrahydroxydammar-23-ene
cholest-8-ene-3beta,5alpha,6alpha,7alpha,10alpha-pentol 6,7-diacetate
12beta-acetoxy-20(S),24(R)-epoxy-3alpha,17alpha,25-trihydroxydammarane
11alpha-acetoxy-gorgostane-3beta,5alpha,6beta,12alpha-tetraol
3alpha,24beta,25-trihydroxy-21,21-dimethoxy-23-oxo-tirucall-7-ene
12alpha-acetoxy-gorgostane-3beta,5alpha,6beta,11alpha-tetraol
(24S)-methylcholestan-3beta,5alpha,6beta,25-tetraol-3,25-diacetate
1-(3,7-dimethylocta-2,6-dienyl)-6,6,10,10-tetramethyl-5-(1-methylethenyl)-11-(2-methylpropanoyl)tetracyclo[7.3.1.13,11.03,7]tetradecane-2,12,14-trione|hypersampsone A
6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid
6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid [IIN-based on: CCMSLIB00000847271]
6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid [IIN-based: Match]
(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol
Pyrohyperforin
2,3-dihydroxypropyl-[3-(docosanoylamino)propyl]-dimethylazanium,chloride
Cholest-5-en-3-ol (3b)-, 3-(hydrogen1,2-benzenedicarboxylate)
2-[2-[2-[2-[2-(2-octadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Methyl 4,23,29-trihydroxy-3,4-seco-olean-12-en-3-oate-28-oic acid
A tetracyclic triterpenoid with a seco-oleanane type skeleton isolated from the stem barks of Kalopanax pictus.
Dehydro-beta-carotene
Dehydro-beta-carotene is a member of the class of compounds known as carotenes. Carotenes are a type of unsaturated hydrocarbons containing eight consecutive isoprene units. They are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Dehydro-beta-carotene can be found in date, which makes dehydro-beta-carotene a potential biomarker for the consumption of this food product.
(8R,9S,13S,14S)-3-Hydroxy-13-methyl-1-octadec-9-enoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
1-[4-(2-Methoxyethyl)phenoxy]-3-(propan-2-ylamino)-2-propanol
C30H50N2O6 (534.3668680000001)
4-(dimethylamino)-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
4-(dimethylamino)-N-[(3S,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
4-(dimethylamino)-N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
4-(dimethylamino)-N-[(3S,9S,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
4-(dimethylamino)-N-[(3R,9R,10R)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
4-(dimethylamino)-N-[(3R,9S,10R)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
4-(dimethylamino)-N-[(3R,9S,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
4-(dimethylamino)-N-[(3R,9R,10S)-9-[(dimethylamino)methyl]-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
4-(dimethylamino)-N-[(3S,9R,10S)-9-[(dimethylamino)methyl]-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]butanamide
1-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
1-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]-3-propan-2-ylurea
[(E)-3-hydroxy-2-(octanoylamino)tetradec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[(E)-2-(hexanoylamino)-3-hydroxyhexadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[(E)-2-(heptanoylamino)-3-hydroxypentadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[(E)-3-hydroxy-2-(tridecanoylamino)non-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[3-hydroxy-2-[[(Z)-tridec-9-enoyl]amino]nonyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[(E)-2-(butanoylamino)-3-hydroxyoctadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[(E)-3-hydroxy-2-(propanoylamino)nonadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[(E)-2-acetamido-3-hydroxyicos-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[(E)-3-hydroxy-2-(pentanoylamino)heptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[(E)-3-hydroxy-2-(nonanoylamino)tridec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[(E)-3-hydroxy-2-(tetradecanoylamino)oct-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[(E)-3-hydroxy-2-(undecanoylamino)undec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[(E)-2-(dodecanoylamino)-3-hydroxydec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[(E)-2-(decanoylamino)-3-hydroxydodec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
6-(diaminomethylideneamino)-2-[[(4E,6E,12E,14E)-3-hydroxy-2-(hydroxymethyl)-8,10,16-trimethyloctadeca-4,6,12,14-tetraenoyl]amino]hexanoic acid
[3-carboxy-2-[(17E,20E,23E)-hexacosa-17,20,23-trienoyl]oxypropyl]-trimethylazanium
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] (9Z,12Z)-heptadeca-9,12-dienoate
[3-hydroxy-2-[[(Z)-tetradec-9-enoyl]amino]octyl] 2-(trimethylazaniumyl)ethyl phosphate
C27H55N2O6P (534.3797539999999)
[1-hydroxy-3-[(Z)-tridec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
(1-decanoyloxy-3-hydroxypropan-2-yl) (11Z,14Z,17Z)-icosa-11,14,17-trienoate
[1-hydroxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-hexadeca-9,12-dienoate
(1-hydroxy-3-tetradecanoyloxypropan-2-yl) (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate
(1-dodecanoyloxy-3-hydroxypropan-2-yl) (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
(1-hydroxy-3-octanoyloxypropan-2-yl) (10Z,13Z,16Z)-docosa-10,13,16-trienoate
2-[hydroxy-[2-hydroxy-3-[(9Z,12Z)-nonadeca-9,12-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
[(2S)-2-decanoyloxy-3-hydroxypropyl] (8E,11E,14E)-icosa-8,11,14-trienoate
[(2S)-1-dodecanoyloxy-3-hydroxypropan-2-yl] (9E,12E,15E)-octadeca-9,12,15-trienoate
[(2S)-2-dodecanoyloxy-3-hydroxypropyl] (9E,12E,15E)-octadeca-9,12,15-trienoate
[3-hydroxy-2-[(E)-tetradec-9-enoyl]oxypropyl] (4E,7E)-hexadeca-4,7-dienoate
[1-carboxy-3-[3-[(9E,11E,13E,15E,17E)-henicosa-9,11,13,15,17-pentaenoyl]oxy-2-hydroxypropoxy]propyl]-trimethylazanium
[(2S)-1-decanoyloxy-3-hydroxypropan-2-yl] (8E,11E,14E)-icosa-8,11,14-trienoate
(3-hydroxy-2-tetradecanoyloxypropyl) (9E,11E,13E)-hexadeca-9,11,13-trienoate
2-[[3-[(9Z,12Z)-hexadeca-9,12-dienoxy]-2-propanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[hydroxy-[2-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
C28H57NO6P+ (534.3923292000001)
2-[[2-acetyloxy-3-[(9Z,12Z)-heptadeca-9,12-dienoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
TG(30:3)
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Pactimibe (sulfate)
C25H40N2O3.1/2H2O4S (534.4277502)
Pactimibe sulfate (CS-505) is a dual ACAT1/2 inhibitor with IC50s of 4.9 μM and 3.0 μM, respectively. Pactimibe sulfate (CS-505) inhibits ACAT with IC50s of 2.0 μM, 2.7 μM, 4.7 μM in the liver, macrophages and THP-1 cells, respectively[1]. Pactimibe sulfate (CS-505) noncompetitively inhibits oleoyl-CoA with a Ki value of 5.6 μM. Moreover, Pactimibe sulfate (CS-505) obviously inhibits cholesteryl ester formation with an IC50 of 6.7 μM. Pactimibe sulfate (CS-505) possesses anti-atherosclerotic potential with lowering plasma cholesterol activity[2].