Exact Mass: 245.15445739999998
Exact Mass Matches: 245.15445739999998
Found 109 metabolites which its exact mass value is equals to given mass value 245.15445739999998,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
beta-Alanyl-L-arginine
This compound belongs to the family of Hybrid Peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta).
Isovalerylcarnitine
C12H23NO4 (245.16269979999998)
Isovalerylcarnitine is the phenotypic abnormality in isovaleric acidemia (OMIM 243500) resulting from an accumulation of isovaleric acid, which is toxic to the central nervous system. Isovaleric acidemia is an autosomal recessive inborn error of leucine metabolism caused by a deficiency of the mitochondrial enzyme isovaleryl-CoA dehydrogenase (EC 1.3.99.10) resulting in the accumulation of derivatives of isovaleryl-CoA. It was the first organic acidemia recognized in humans and can cause significant morbidity and mortality. Early diagnosis and treatment with a protein restricted diet and supplementation with carnitine and glycine are effective in promoting normal development in severely affected individuals. An alternative pathway through glycine-N-acylase (EC 2.3.1.13) allows detoxification by producing isovalerylglycine, which is excreted. Thus, isovalerylcarnitine and isovalerylglycine are the hallmarks of this disorder in plasma and urine, respectively, and are elevated regardless of a patients metabolic condition (PMID: 16602101). Moreover, isovalerylcarnitine is found to be associated with celiac disease and very long-chain acyl-CoA dehydrogenase deficiency (VLCAD), which are also inborn errors of metabolism. Isovalerylcarnitine is the phenotypic abnormality in isovaleric acidemia (OMIM 243500) resulting from an accumulation of isovaleric acid, which is toxic to the central nervous system. Isovaleric acidemia is an autosomal recessive inborn error of leucine metabolism caused by a deficiency of the mitochondrial enzyme isovaleryl-CoA dehydrogenase (EC 1.3.99.10) resulting in the accumulation of derivatives of isovaleryl-CoA. It was the first organic acidemia recognized in humans and can cause significant morbidity and mortality. Early diagnosis and treatment with a protein restricted diet and supplementation with carnitine and glycine are effective in promoting normal development in severely affected individuals. An alternative pathway through glycine-N-acylase (EC 2.3.1.13) allows detoxification by producing isovalerylglycine, which is excreted. Thus, isovalerylcarnitine and isovalerylglycine are the hallmarks of this disorder in plasma and urine, respectively, and are elevated regardless of a patients metabolic condition. (PMID: 16602101) [HMDB] Isovalerylcarnitine is a product of the catabolism of L-leucine. Isovalerylcarnitine is also a selective and reversible calpain activator that induces apoptosis[1][2][3].
Alanylarginine
Alanylarginine is a dipeptide composed of alanine and arginine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Arginylalanine
Arginylalanine is a dipeptide composed of arginine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
2-Methylbutyroylcarnitine
2-Methylbutyroylcarnitine is an acylcarnitine. More specifically, it is an 2-methylbutanoic 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. 2-Methylbutyroylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 2-methylbutyroylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. In particular 2-methylbutyroylcarnitine is elevated in the blood or plasma of individuals with exudative age-related macular degeneration (PMID: 32120889), type 2 Diabetes Mellitus (PMID: 31782507, PMID: 20111019), obesity (PMID: 20111019), acute cerebral infarction (PMID: 29265114), diastolic heart failure (PMID: 26010610), systolic heart failure (PMID: 26010610). It is also decreased in the blood or plasma of individuals with pregnancy (PMID: 24704061 - in serum of pregnant women with fetus with CHD). Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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]. Usually not detected in normal individuals, the elevation of 2-methylbutyrylcarnitine suggests a deficiency of a dehydrogenase specific for isobutyryl-CoA, important in the differential diagnosis of Branched Chain Organic Acidurias by Analysis of Urinary Organic Acids and Acylcarnitines in Plasma or Dried Blood Spots (The Metabolic and Molecular Bases of Inherited Disease, Chapter 93) [HMDB]
Pivaloylcarnitine
C12H23NO4 (245.16269979999998)
Pivaloylcarnitine is an acylcarnitine. More specifically, it is an pivalic 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. Pivaloylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine Pivaloylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). 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].
S-3-oxodecanoyl cysteamine
S-3-oxodecanoyl cysteamine belongs to the family of Thioesters. These are compounds containing the ester derivative of thiocarboxylic acid,with the general structure R-S-CO-R (R,R=alkyl,aryl)
Pinacidil
C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DG - Guanidine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D049990 - Membrane Transport Modulators
Ramifenazone
C14H19N3O (245.15280439999998)
alpha-5-C-(3-Hydroxybutyl)-hyacinthacine A2
C12H23NO4 (245.16269979999998)
Ramifenazone
C14H19N3O (245.15280439999998)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
Pinacidil
C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DG - Guanidine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D049990 - Membrane Transport Modulators
(2S:3S:2R)-2-[Methyl-(alpha-hydroxy-isovaleryl)-amino]-3-methyl-valeriansaeure|N-Methyl-N-(D-alpha-hydroxy-isovaleryl)-L-isoleucin|N-methyl-N-(D-alpha-hydroxy-isovaleryl)-L-isoleucine
C12H23NO4 (245.16269979999998)
Isovalerylcarnitine
C12H23NO4 (245.16269979999998)
An O-isovalerylcarnitine that is the 3-methylbutanoyl (isovaleryl) derivative of L-carnitine. Isovalerylcarnitine is a product of the catabolism of L-leucine. Isovalerylcarnitine is also a selective and reversible calpain activator that induces apoptosis[1][2][3].
Valeryl-carnitine; AIF; CE0; CorrDec
C12H23NO4 (245.16269979999998)
Valeryl-carnitine; AIF; CE10; CorrDec
C12H23NO4 (245.16269979999998)
Valeryl-carnitine; AIF; CE30; CorrDec
C12H23NO4 (245.16269979999998)
Valeryl-carnitine; AIF; CE0; MS2Dec
C12H23NO4 (245.16269979999998)
Valeryl-carnitine; AIF; CE10; MS2Dec
C12H23NO4 (245.16269979999998)
Valeryl-carnitine; AIF; CE30; MS2Dec
C12H23NO4 (245.16269979999998)
Arg-ala
A dipeptide formed from L-arginyl and L-alanine residues.
pivaloylcarnitine
C12H23NO4 (245.16269979999998)
CAR 5:0
C12H23NO4 (245.16269979999998)
Isovalerylcarnitine is a product of the catabolism of L-leucine. Isovalerylcarnitine is also a selective and reversible calpain activator that induces apoptosis[1][2][3].
3-tert-Butoxycarbonylamino-5-methyl-hexanoic acid
C12H23NO4 (245.16269979999998)
(s)-tert-butyl 4-(2-hydroxyethyl)-2,2-dimethyloxazolidine-3-carboxylate
C12H23NO4 (245.16269979999998)
Methyl (2S,3S)-3-[(tert-butyldimethylsilyl)oxy]azetidine-2-carbo
C11H23NO3Si (245.14471279999998)
5-TERT-BUTYL-2-(2-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE
C14H19N3O (245.15280439999998)
2-(tert-butoxycarbonylamino)-4,4-dimethylpentanoic acid
C12H23NO4 (245.16269979999998)
1-BOC-4-HYDROXYMETHYL-4-METHOXY-PIPERIDINE
C12H23NO4 (245.16269979999998)
(R)-3-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid
C12H23NO4 (245.16269979999998)
tert-butyl (2S,3R,4S)-4-hydroxy-2-(MethoxyMethyl)-3-Methylpyrrol
C12H23NO4 (245.16269979999998)
3-(tert-Butyl)-1-(3-methoxyphenyl)-1H-pyrazol-5-amine
C14H19N3O (245.15280439999998)
3-(TERT-BUTYL)-1-(4-METHOXYPHENYL)-1H-PYRAZOL-5-AMINE
C14H19N3O (245.15280439999998)
oxolamine
C14H19N3O (245.15280439999998)
R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D019141 - Respiratory System Agents > D000996 - Antitussive Agents D002491 - Central Nervous System Agents
4,4-Bis(hydroxymethyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
C12H23NO4 (245.16269979999998)
(S)-2-TERT-BUTOXYCARBONYLAMINO-HEPTANOICACID
C12H23NO4 (245.16269979999998)
2-Propanol,1,1-iminobis[3-(2-propen-1-yloxy)-
C12H23NO4 (245.16269979999998)
5-Allylpyridine-3-boronic acid pinacol ester
C14H20BNO2 (245.15870100000004)
(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)LITHIUM
C12H23NO4 (245.16269979999998)
8-Benzyl-1,3,8-triazaspiro[4.5]decane-4-one
C14H19N3O (245.15280439999998)
1,2-Ethanediamine,N1-(2-furanylmethyl)-N2,N2-dimethyl-N1-2-pyridinyl-
C14H19N3O (245.15280439999998)
6-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-isoquinolin-1-one
C14H19N3O (245.15280439999998)
3-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid
C12H23NO4 (245.16269979999998)
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indoline
C14H20BNO2 (245.15870100000004)
ethyl 3-(tert-butoxycarbonylamino)-3-Methylbutanoate
C12H23NO4 (245.16269979999998)
(R)-2-(((tert-Butoxycarbonyl)amino)methyl)-4-methylpentanoic acid
C12H23NO4 (245.16269979999998)
(3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
C14H19N3O (245.15280439999998)
2-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
C14H20BNO2 (245.15870100000004)
[2-(1-adamantyloxy)propyl]amine hydrochloride
C13H24ClNO (245.15463239999997)
2-Amino-5-benzyl-3-methyl-5-propyl-3,5-dihydro-4H-imidazol-4-one
C14H19N3O (245.15280439999998)
2-Amino-5-butyl-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one
C14H19N3O (245.15280439999998)
8-Benzyl-1,3,8-triaza-spiro[4.5]decan-4-one
C14H19N3O (245.15280439999998)
(R)-TERT-BUTYL 4-(2-HYDROXYETHYL)-2,2-DIMETHYLOXAZOLIDINE-3-CARBOXYLATE
C12H23NO4 (245.16269979999998)
diallyl n,n-diisopropylphosphoramidite
C12H24NO2P (245.15445739999998)
N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoic Acid
Valerylcarnitine
C12H23NO4 (245.16269979999998)
Valerylcarnitine is an endogenous metabolite, belonging to the short-chain acylcarnitines.
O-valeroylcarnitine
C12H23NO4 (245.16269979999998)
A C5-acylcarnitine in which the acyl group specified is valeroyl.
2-Methylbutyrylcarnitine
C12H23NO4 (245.16269979999998)
A C5-acylcarnitine having 2-methylbutyryl as the acyl substituent.
O-pivaloylcarnitine
C12H23NO4 (245.16269979999998)
A C5-acylcarnitine in which the acyl group specified is pivaloyl.
3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-5-oxohexanamide
C12H23NO4 (245.16269979999998)
(2S)-(caprinylamino)(hydroxy)acetic acid
C12H23NO4 (245.16269979999998)
(3R)-3-pentanoyloxy-4-[tris(trideuteriomethyl)azaniumyl]butanoate
C12H23NO4 (245.16269979999998)
(3R)-3-(carboxymethylamino)decanoic acid
C12H23NO4 (245.16269979999998)
O-Valeroyl-L-carnitine
C12H23NO4 (245.16269979999998)
An O-acyl-L-carnitine in which the acyl group specified is valeroyl.
(R)-2-methylbutyrylcarnitine
C12H23NO4 (245.16269979999998)
An optically active form of O-2-methylbutyrylcarnitine having (R)-configuration.
(3S)-3-(pentanoyloxy)-4-(trimethylazaniumyl)butanoate
C12H23NO4 (245.16269979999998)
O-isovalerylcarnitine
C12H23NO4 (245.16269979999998)
A C5-acylcarnitine having isovaleryl as the acyl substituent.
(1s,2r,3r,6r,7ar)-6-[(3s)-3-hydroxybutyl]-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol
C12H23NO4 (245.16269979999998)
(1s,2r,3r,5s,7ar)-5-[(3s)-3-hydroxybutyl]-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol
C12H23NO4 (245.16269979999998)
{[(5z)-4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene]methyl}(2-methylpropyl)amine
C14H19N3O (245.15280439999998)
(1r,2r,3r,5s,7ar)-5-(3-hydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol
C12H23NO4 (245.16269979999998)
5-(3-hydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol
C12H23NO4 (245.16269979999998)
({4-methoxy-1h,1'h-[2,2'-bipyrrol]-5-yl}methylidene)(2-methylpropyl)amine
C14H19N3O (245.15280439999998)
3-hydroxy-n-(1-hydroxy-4-methylpentan-2-yl)-5-oxohexanimidic acid
C12H23NO4 (245.16269979999998)
({4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene}methyl)(2-methylpropyl)amine
C14H19N3O (245.15280439999998)
n-(1-hydroxy-3-methylpentan-2-yl)-4-methoxy-2-methyl-4-oxobutanimidic acid
C12H23NO4 (245.16269979999998)
3-hydroxy-n-(1-hydroxy-3-methylpentan-2-yl)-5-oxohexanimidic acid
C12H23NO4 (245.16269979999998)