Exact Mass: 245.1991
Exact Mass Matches: 245.1991
Found 203 metabolites which its exact mass value is equals to given mass value 245.1991,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dezocine
Dezocine is a partial opiate drug and is used for pain management. Dezocine is a very effective alternative to fentanyl when administered during outpatient laparoscopy, although is associated with an increased incidence of postoperative nausea. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics > N02A - Opioids
Isovalerylcarnitine
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].
Valyllysine
Valyllysine is a dipeptide composed of valine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Lysylvaline
Lysylvaline is a dipeptide composed of lysine and valine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling 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
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].
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
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
tolperisone
M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant D002491 - Central Nervous System Agents
PYROVALERONE
D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
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
(2E,4E,10E)-N-isobutyldodeca-2,4,10-trien-8-ynamide|2-Methylpropylamide 鈥樎?2E,4E,10E)-2,4,10-Dodecatrien-8-ynoic acid|dodeca-2E,4E,10E-trien-8-ynoic acid isobutylamide|N-isobutyldodeca-2E,4E,10E-triene-8-ynamide
2-Methylbutylamide-(Z)-2-Undecene-8,10-diynoic acid
(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
(2E)-N-isobutyldodeca-2-ene-8,10-diynamide|(E)-N-isobutyl dodeca-2-ene-8,10-diynamide|(E)-N-isobutyldodeca-2-en-8,10-diynamide|(E)-N-isobutyldodeca-2-ene-8,10-diynamide|2-Methylpropylamide 鈥樎?E)-2-Dodecene-8,10-diynoic acid|Alk5|dodeca-2E-en-8,10-diynoic acid isobutylamide|dodeca-2E-ene-8,10-diynoic acid isobutylamide
Isovalerylcarnitine
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].
(2S,5S)-5-((E)-pent-2-en-4-yn-1-yl)-2-propyldecahydroquinoline
(5R,8R)-8-(but-3-en-1-yl)-5-(pent-4-yn-1-yl)octahydroindolizine
(5S,8R)-8-ethyl-5-((E)-hept-1-en-6-yn-1-yl)octahydroindolizine
(E)-8-methyl-5-(oct-5-en-7-yn-1-yl)octahydroindolizine
(E)-8-ethyl-5-(hept-4-en-6-yn-1-yl)octahydroindolizine
(5R,8R)-8-ethyl-5-(hept-6-yn-1-yl)-1,2,3,5,8,8a-hexahydroindolizine
(5R,8R)-8-(but-3-yn-1-yl)-5-pentyl-1,2,3,5,8,8a-hexahydroindolizine
(E)-6-ethyl-5-(hex-3-en-5-yn-1-yl)-8-methyloctahydroindolizine
(10S)-3,7,10-trimethyl-1,3a,4,8,9,9a,10,10a-octahydrocyclopenta[b]quinolizine-2-carbaldehyde
Lys-val
A dipeptide formed from L-lysine and L-valine residues.
Val-lys
A dipeptide formed from L-valine and L-lysine residues.
(s)-tert-butyl 4-(2-hydroxyethyl)-2,2-dimethyloxazolidine-3-carboxylate
Inaperisone
C78281 - Agent Affecting Musculoskeletal System > C29696 - Muscle Relaxant Inaperisone is a centrally acting muscle relaxant. Inaperisone can inhibit the micturition reflex by acting indirectly on GABAB receptors in the brainstem[1].
5-TERT-BUTYL-2-(2-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE
2-(tert-butoxycarbonylamino)-4,4-dimethylpentanoic acid
(R)-3-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid
tert-butyl (2S,3R,4S)-4-hydroxy-2-(MethoxyMethyl)-3-Methylpyrrol
N-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
3-(tert-Butyl)-1-(3-methoxyphenyl)-1H-pyrazol-5-amine
1-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE OXIME
3-(TERT-BUTYL)-1-(4-METHOXYPHENYL)-1H-PYRAZOL-5-AMINE
oxolamine
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
1,2-Ethanediamine,N1-(2-furanylmethyl)-N2,N2-dimethyl-N1-2-pyridinyl-
6-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-isoquinolin-1-one
3-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indoline
ethyl 3-(tert-butoxycarbonylamino)-3-Methylbutanoate
(R)-2-(((tert-Butoxycarbonyl)amino)methyl)-4-methylpentanoic acid
(3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
undec-10-enoic acid, compound with 2-aminoethanol (1:1)
2-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
2-Amino-5-benzyl-3-methyl-5-propyl-3,5-dihydro-4H-imidazol-4-one
2-Amino-5-butyl-3-methyl-5-phenyl-3,5-dihydro-4H-imidazol-4-one
9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane
(R)-TERT-BUTYL 4-(2-HYDROXYETHYL)-2,2-DIMETHYLOXAZOLIDINE-3-CARBOXYLATE
N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
2-(2,6-Diaminohexanoylamino)-3-methylbutanoic acid
Valerylcarnitine
Valerylcarnitine is an endogenous metabolite, belonging to the short-chain acylcarnitines.
O-valeroylcarnitine
A C5-acylcarnitine in which the acyl group specified is valeroyl.
2-Methylbutyrylcarnitine
A C5-acylcarnitine having 2-methylbutyryl as the acyl substituent.
O-pivaloylcarnitine
A C5-acylcarnitine in which the acyl group specified is pivaloyl.
3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-5-oxohexanamide
(3R)-3-pentanoyloxy-4-[tris(trideuteriomethyl)azaniumyl]butanoate
4-[3-(4-Aminobutylamino)propylamino]-4-oxobutanoic acid
4-[4-(3-Aminopropylamino)butylamino]-4-oxobutanoic acid
1-Cyclohexyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta(B)pyrrole
15-Methylaminobicyclo(8.3.2)pentadeca-1(13),10(15),11-trien-14-one
dezocine
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics > N02A - Opioids
O-Valeroyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group specified is valeroyl.
(R)-2-methylbutyrylcarnitine
An optically active form of O-2-methylbutyrylcarnitine having (R)-configuration.
(3S)-3-(pentanoyloxy)-4-(trimethylazaniumyl)butanoate
O-isovalerylcarnitine
A C5-acylcarnitine having isovaleryl as the acyl substituent.
Sphingosine (d14:0)
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(1s,2r,3r,6r,7ar)-6-[(3s)-3-hydroxybutyl]-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol
(1s,9r,10r)-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),7-dien-6-imine
(1s,2r,3r,5s,7ar)-5-[(3s)-3-hydroxybutyl]-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol
(1s,4s,10s,12r)-9-[(1e)-but-1-en-1-yl]-10-methyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodec-8-en-6-imine
(2e,4z,10z)-n-(2-methylpropyl)dodeca-2,4,10-trien-8-ynimidic acid
n-(2-methylpropyl)dodeca-2,4,10-trien-8-ynimidic acid
anhydrolycodoline
{"Ingredient_id": "HBIN016168","Ingredient_name": "anhydrolycodoline","Alias": "NA","Ingredient_formula": "C16H23NO","Ingredient_Smile": "CC1CC2CC(=O)C3CCCN4C3(C1)C2=CCC4","Ingredient_weight": "245.36 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38584","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102442792","DrugBank_id": "NA"}
