Exact Mass: 535.3118166
Exact Mass Matches: 535.3118166
Found 102 metabolites which its exact mass value is equals to given mass value 535.3118166,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
(4Z,7Z,10S,11E)-10-Hydroperoxy-12-[(1R,4S,5S,6R)-6-[(2Z)-pent-2-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]dodeca-4,7,11-trienoylcarnitine
(4Z,7Z,10S,11E)-10-Hydroperoxy-12-[(1R,4S,5S,6R)-6-[(2Z)-pent-2-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]dodeca-4,7,11-trienoylcarnitine is an acylcarnitine. More specifically, it is an (4Z,7Z,10S,11E)-10-hydroperoxy-12-[(1R,4S,5S,6R)-6-[(2Z)-pent-2-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]dodeca-4,7,11-trienoic 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. (4Z,7Z,10S,11E)-10-Hydroperoxy-12-[(1R,4S,5S,6R)-6-[(2Z)-pent-2-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]dodeca-4,7,11-trienoylcarnitine is therefore classified as a very-long chain AC. As a very long-chain acylcarnitine (4Z,7Z,10S,11E)-10-Hydroperoxy-12-[(1R,4S,5S,6R)-6-[(2Z)-pent-2-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]dodeca-4,7,11-trienoylcarnitine is generally formed in the cytoplasm from very long acyl groups synthesized by fatty acid synthases or obtained from the diet. Very-long-chain fatty acids are generally too long to be involved in mitochondrial beta-oxidation. As a result peroxisomes are the main organelle where very-long-chain fatty acids are metabolized and their acylcarnitines synthesized (PMID: 18793625). Altered levels of very long-chain acylcarnitines can serve as useful markers for inherited disorders of peroxisomal metabolism. 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].
3-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z,11Z)-3-Hydroperoxytetradeca-1,5,8,11-tetraen-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]propanoylcarnitine
3-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z,11Z)-3-hydroperoxytetradeca-1,5,8,11-tetraen-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]propanoylcarnitine is an acylcarnitine. More specifically, it is an 3-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z,11Z)-3-hydroperoxytetradeca-1,5,8,11-tetraen-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]propanoic 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-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z,11Z)-3-hydroperoxytetradeca-1,5,8,11-tetraen-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]propanoylcarnitine is therefore classified as a very-long chain AC. As a very long-chain acylcarnitine 3-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z,11Z)-3-hydroperoxytetradeca-1,5,8,11-tetraen-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]propanoylcarnitine is generally formed in the cytoplasm from very long acyl groups synthesized by fatty acid synthases or obtained from the diet. Very-long-chain fatty acids are generally too long to be involved in mitochondrial beta-oxidation. As a result peroxisomes are the main organelle where very-long-chain fatty acids are metabolized and their acylcarnitines synthesized (PMID: 18793625). Altered levels of very long-chain acylcarnitines can serve as useful markers for inherited disorders of peroxisomal metabolism. 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].
(4Z)-6-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z)-3-Hydroperoxyundeca-1,5,8-trien-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hex-4-enoylcarnitine
(4Z)-6-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z)-3-hydroperoxyundeca-1,5,8-trien-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hex-4-enoylcarnitine is an acylcarnitine. More specifically, it is an (4Z)-6-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z)-3-hydroperoxyundeca-1,5,8-trien-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hex-4-enoic 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. (4Z)-6-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z)-3-hydroperoxyundeca-1,5,8-trien-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hex-4-enoylcarnitine is therefore classified as a very-long chain AC. As a very long-chain acylcarnitine (4Z)-6-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z)-3-hydroperoxyundeca-1,5,8-trien-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hex-4-enoylcarnitine is generally formed in the cytoplasm from very long acyl groups synthesized by fatty acid synthases or obtained from the diet. Very-long-chain fatty acids are generally too long to be involved in mitochondrial beta-oxidation. As a result peroxisomes are the main organelle where very-long-chain fatty acids are metabolized and their acylcarnitines synthesized (PMID: 18793625). Altered levels of very long-chain acylcarnitines can serve as useful markers for inherited disorders of peroxisomal metabolism. 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].
Lys Phe Asn Lys
Phe Ile Arg Thr
Phe Ile Thr Arg
Phe Lys Lys Asn
Phe Lys Asn Lys
Phe Leu Arg Thr
Phe Leu Thr Arg
Phe Asn Lys Lys
Phe Arg Ile Thr
Phe Arg Leu Thr
Phe Arg Thr Ile
Phe Arg Thr Leu
Phe Thr Ile Arg
Phe Thr Leu Arg
Phe Thr Arg Ile
Phe Thr Arg Leu
Ile Phe Arg Thr
Ile Phe Thr Arg
Ile Arg Phe Thr
Ile Arg Thr Phe
Ile Thr Phe Arg
Ile Thr Arg Phe
Lys Phe Lys Asn
Lys Lys Phe Asn
Lys Lys Asn Phe
Lys Asn Phe Lys
Lys Asn Lys Phe
Leu Phe Arg Thr
Leu Phe Thr Arg
Leu Arg Phe Thr
Leu Arg Thr Phe
Leu Thr Phe Arg
Leu Thr Arg Phe
Asn Phe Lys Lys
Asn Lys Phe Lys
Asn Lys Lys Phe
Arg Phe Ile Thr
Arg Phe Leu Thr
Arg Phe Thr Ile
Arg Phe Thr Leu
Arg Ile Phe Thr
Arg Ile Thr Phe
Arg Leu Phe Thr
Arg Leu Thr Phe
Arg Thr Phe Ile
Arg Thr Phe Leu
Arg Thr Ile Phe
Arg Thr Leu Phe
Arg Val Val Tyr
Arg Val Tyr Val
Arg Tyr Val Val
Thr Phe Ile Arg
Thr Phe Leu Arg
Thr Phe Arg Ile
Thr Phe Arg Leu
Thr Ile Phe Arg
Thr Ile Arg Phe
Thr Leu Phe Arg
Thr Leu Arg Phe
Thr Arg Phe Ile
Thr Arg Phe Leu
Thr Arg Ile Phe
Thr Arg Leu Phe
Val Arg Val Tyr
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Val Val Tyr Arg
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(4Z,7Z,10S,11E)-10-Hydroperoxy-12-[(1R,4S,5S,6R)-6-[(2Z)-pent-2-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]dodeca-4,7,11-trienoylcarnitine
3-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z,11Z)-3-Hydroperoxytetradeca-1,5,8,11-tetraen-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]propanoylcarnitine
(4Z)-6-[(1R,4S,5S,6R)-6-[(1E,3S,5Z,8Z)-3-Hydroperoxyundeca-1,5,8-trien-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hex-4-enoylcarnitine
2-methylpropyl N-[[(10S,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylcarbamate
C31H41N3O5 (535.3046056000001)
2-methylpropyl N-[[(10S,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylcarbamate
C31H41N3O5 (535.3046056000001)
2-methylpropyl N-[[(10R,11R)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylcarbamate
C31H41N3O5 (535.3046056000001)
2-methylpropyl N-[[(10R,11S)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylcarbamate
C31H41N3O5 (535.3046056000001)
2-methylpropyl N-[[(10S,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylcarbamate
C31H41N3O5 (535.3046056000001)
N-[(4R,7S,8S)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C31H41N3O5 (535.3046056000001)
N-[(4R,7R,8S)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C31H41N3O5 (535.3046056000001)
N-[(4S,7R,8S)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C31H41N3O5 (535.3046056000001)
N-[(4R,7R,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C31H41N3O5 (535.3046056000001)
N-[(4S,7S,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C31H41N3O5 (535.3046056000001)
N-[(4S,7R,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C31H41N3O5 (535.3046056000001)
N-[(4R,7S,8R)-5-benzoyl-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]cyclohexanecarboxamide
C31H41N3O5 (535.3046056000001)
2-methylpropyl N-[[(10R,11R)-13-[(2R)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylcarbamate
C31H41N3O5 (535.3046056000001)
2-methylpropyl N-[[(10R,11S)-13-[(2S)-1-hydroxypropan-2-yl]-11,16-dimethyl-14-oxo-9-oxa-13,16-diazatetracyclo[13.7.0.02,7.017,22]docosa-1(15),2,4,6,17,19,21-heptaen-10-yl]methyl]-N-methylcarbamate
C31H41N3O5 (535.3046056000001)
Tauroursodeoxycholate (dihydrate)
C26H49NO8S (535.3178714000001)
Tauroursodeoxycholate (Tauroursodeoxycholic acid; TDUCA) dihydrate is an endoplasmic reticulum (ER) stress inhibitor. Tauroursodeoxycholate significantly reduces expression of apoptosis molecules, such as caspase-3 and caspase-12. Tauroursodeoxycholate also inhibits ERK[1][2].