Exact Mass: 245.1488
Exact Mass Matches: 245.1488
Found 500 metabolites which its exact mass value is equals to given mass value 245.1488,
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
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
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.
Glutaminylvaline
Glutaminylvaline is a dipeptide composed of glutamine and valine. 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.
Asparaginylisoleucine
Asparaginylisoleucine is a dipeptide composed of asparagine and isoleucine. 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.
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.
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]
Valylglutamine
Valylglutamine is a dipeptide composed of valine and glutamine. 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.
Isoleucyl-Asparagine
Isoleucyl-Asparagine is a dipeptide composed of isoleucine and asparagine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Asparaginyl-Leucine
Asparaginyl-Leucine is a dipeptide composed of asparagine and leucine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Leucyl-Asparagine
Leucyl-Asparagine is a dipeptide composed of leucine and asparagine. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Valyl-Gamma-glutamate
Valyl-Gamma-glutamate is a dipeptide composed of valine and gamma-glutamate. 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
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].
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)
N-Phenylacetyl pyroglutamic acid
N-Phenylacetyl pyroglutamic acid belongs to the family of Phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
OR-1896
OR-1896 is a metabolite of levosimendan. Levosimendan is a calcium sensitiser used in the management of acutely decompensated congestive heart failure. It is marketed under the trade name Simdax. (Wikipedia)
3-Oxobutanoylcarnitine
3-oxobutanoylcarnitine is an acylcarnitine. More specifically, it is an 3-oxobutanoic 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-oxobutanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-oxobutanoylcarnitine 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].
[(1R,5R)-5-(6-Aminopurin-9-yl)cyclohex-3-en-1-yl]methanol
N-(3-(5,6,7,8-Tetrahydro-2-naphthyl)prop-2-enyl)acetohydroxamic acid
(R)-2-(4-(Tert-butoxycarbonyl)morpholin-3-yl)acetic acid
N-[4-(4-Methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
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
N-Hexamethylene N',N'-diethylene thiophosphoramide
4-Acetamidoantipyrin
A member of the class of pyrazoles that is antipyrine substituted by an acetylamino group at position 4. It is a drug metabolite of metamizole. CONFIDENCE standard compound; INTERNAL_ID 2001 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1010 CONFIDENCE standard compound; INTERNAL_ID 4082 CONFIDENCE standard compound; EAWAG_UCHEM_ID 236
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
1,6-dihydro-6-imino-1,7-dimethyl-3-((E)-3-methylbuta-1,3-dienyl)-3H-purin-2(7H)-one|dioicine
N-[2-(2,2-Dimethyl-2H-1-benzopyran-6-yl)ethyl]acetamide
(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
3-(3-phenylpropanoyl)-7-oxa-3-aza-bicyclo[4.1.0]heptan-2-one|kaousine
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
3-phenylacetoxynortropane|nortropan-3-yl phenylacetate|Phenylessigsaeure-nortropinester
Acetic acid [2,3-dimethyl-4-oxoquinolin-1(4H)-yl]methyl ester
(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
3-(4-hydroxyphenyl)-4-isobutyl-1h-pyrrole-2,5-dione
2,3-Dihydro-6-Methoxy-4-Methyl-2-Hydroxyethylfuro[3,2-c]quinoline
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].
Leu-Gly-Gly
A tripeptide composed of one L-leucine and two glycine residues joined in sequence. CONFIDENCE standard compound; INTERNAL_ID 164
(10S)-3,7,10-trimethyl-1,3a,4,8,9,9a,10,10a-octahydrocyclopenta[b]quinolizine-2-carbaldehyde
Asn-Ile
A dipeptide obtained by formal condensation of the carboxy group of L-asparagine with the amino group of L-isoleucine.
Ile-Asn
A dipeptide formed from L-isoleucine and L-asparagine residues.
Leu-asn
A dipeptide composed of L-leucine and L-asparagine joined by a peptide linkage.
Lys-val
A dipeptide formed from L-lysine and L-valine residues.
Val-Gln
A dipeptide formed from L-valine and L-glutamine residues.
Val-lys
A dipeptide formed from L-valine and L-lysine residues.
2-(trans-4-Hydroxycyclohexyl)isoindoline-1,3-dione
ethyl 5-(4-aminophenyl)-2-methylfuran-3-carboxylate
N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
6-METHOXY-2-METHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
tert-Butyl 4-carbamothioylpiperazine-1-carboxylate
benzyl 5-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
(s)-tert-butyl 4-(2-hydroxyethyl)-2,2-dimethyloxazolidine-3-carboxylate
(2S,4S)-1-(tert-Butoxycarbonyl)-4-methoxypyrrolidine-2-carboxylic acid
(S)-2-(4-(tert-Butoxycarbonyl)morpholin-3-yl)acetic acid
(R)-3-METHYL-1-(3-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZINE
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].
Gly-gly-ile
A tripeptide composed of glycine, glycine and L-isoleucine residues joined in sequence.
TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE
Gly-gly-leu
A tripeptide composed of glycine, glycine and L-leucine residues joined in sequence.
(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxyhexahydro-2-pyridinecarboxylic acid
1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPIPERIDINE-4-CARBOXYLIC ACID
2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
Methyl (2S,3S)-3-[(tert-butyldimethylsilyl)oxy]azetidine-2-carbo
1-Tert-butyl2-Methyl4-hydroxypyrrolidine-1,2-dicarboxylate
5-TERT-BUTYL-2-(2-METHOXY-PHENYL)-2H-PYRAZOL-3-YLAMINE
(2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(HYDROXYMETHYL)PYRROLIDINE-2-CARBOXYLIC ACID
2-(tert-butoxycarbonylamino)-4,4-dimethylpentanoic acid
(2S,3R)-1-tert-Butyl 2-methyl 3-hydroxypyrrolidine-1,2-dicarboxylate
2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
(R)-3-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid
6-Amino-4-cyanopyridine-3-boronic acid pinacol ester
tert-butyl (2S,3R,4S)-4-hydroxy-2-(MethoxyMethyl)-3-Methylpyrrol
(S)-Tert-Butyl (1,5-diamino-1,5-dioxopentan-2-yl)carbamate
(S)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYLOXAZOLIDINE-4-CARBOXYLIC ACID
(2S)-1-TERT-BUTYL 2-METHYL 5-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATE
5-AMINO-1-P-TOLYL-1H-PYRAZOLE-4-CARBOXYLICACIDETHYLESTER
N-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
2-AMINO-3-(3-BENZYL-3H-IMIDAZOL-4-YL)-PROPIONIC ACID
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine hydrochloride
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridine
3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyrimidine
Carbamic acid,N,N-dimethyl-, 3-methyl-1-phenyl-1H-pyrazol-5-yl ester
benzyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
3-(tert-Butyl)-1-(3-methoxyphenyl)-1H-pyrazol-5-amine
ETHYL 1-BENZYL-5-METHYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
1-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHAN-1-ONE OXIME
(3-HYDROXYMETHYL-PYRROLIDIN-3-YL)-CARBAMICACIDTERT-BUTYLESTER
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
Methyl trans-4-aminoadamantane-1-carboxylate hydrochloride
6,7-dimethylspiro[3H-chromene-2,4-piperidine]-4-one
4,4-Bis(hydroxymethyl)-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
1-(tert-Butoxycarbonyl)-4-hydroxypiperidine-4-carboxylic acid
ethyl 5-amino-1-(4-methylphenyl)-1h-pyrazole-4-carboxylate
5-AMINO-1-P-TOLYL-1H-PYRAZOLE-3-CARBOXYLICACIDETHYLESTER
(2S,3S)-1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE-2-CARBOXYLICACIDMETHYLESTER
10-benzyl-5,8-dioxa-10-azadispiro[2.0.44.33]undecane
4-tert-Butyl 2-methyl morpholine-2,4-dicarboxylate
3-CARBOXYMETHOXY-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1,2-Ethanediamine,N1-(2-furanylmethyl)-N2,N2-dimethyl-N1-2-pyridinyl-
1-(TERT-BUTOXYCARBONYL)-4-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID
1-METHYL-4-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZINE
ETHYL 3-BENZYL-3-AZA-BICYCLO[3.1.0]HEXANE-6-CARBOXYLATE
6-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-isoquinolin-1-one
5-tert-butyl-1H-indole-2-carboxylic acid ethyl ester
3-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indoline
(2S,4S)-1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
ethyl 3-(tert-butoxycarbonylamino)-3-Methylbutanoate
(R)-2-(((tert-Butoxycarbonyl)amino)methyl)-4-methylpentanoic acid
Methyl spiro[cyclohexane-1,3-indoline]-4-carboxylate
(3E)-1-(2,6-dimethylphenyl)-3-(1-methylpyrrolidin-2-ylidene)urea
1-Benzyl-4-cyclopropyl-3-pyrrolidinecarboxylic acid
1-(Hydroxycyclohexyl)-(4-methoxyphenyl)acetonitrile
1H-Benzo[d][1,2,3]triazol-5-ylboronic acid pinacol ester
1-tert-butyl 3-methyl 3-hydroxypyrrolidine-1,3-dicarboxylate
(R)-methyl N-tert-butoxycarbonylmorpholine-3-carboxylate
(2S,4S)-4-((TETRAHYDRO-2H-PYRAN-4-YL)METHYL)GLUTAMICACID
(S,S,S)-2-Azabicyclo[3,3,0]octane-3-carboxylic acid benzylester hydrochloride
N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
(2R,4R)-4-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-piperidinecarboxylic acid
2-CYANO-6-METHOXYPHENYL BORONIC ACID NEOPENTYL GLYCOL ESTER
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-methoxybenzonitrile
Tasimelteon
N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CH - Melatonin receptor agonists C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
2-Cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
1-BENZYL-1,2,3,6-TETRAHYDROISONICOTINIC ACID ETHYL ESTER
ethyl 2-((2-methyl-1h-indol-3-yl)methylene)hydrazinecarboxylate
3-hydroxy-1,2-Piperidinedicarboxylic acid 1-(1,1-diMethylethyl) ester
cis-4-AMino-1-Methoxycarbonyl AdaMantane Hydrochloride
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
[1,2,4]triazolo[1,5-a]pyridine-6-boronic acid pinacol ester
9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane
(R)-TERT-BUTYL 4-(2-HYDROXYETHYL)-2,2-DIMETHYLOXAZOLIDINE-3-CARBOXYLATE
ETHYL 1-(4-AMINOPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
N-methyl-N-((3R,4R)-4-methylpiperidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
(R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
N-(3-(5,6,7,8-Tetrahydro-2-naphthyl)prop-2-enyl)acetohydroxamic acid
4-Pyrimidinamine, 2-methoxy-6-((4-methoxyphenyl)methyl)-
Methyl (3s)-3-[(Tert-Butoxycarbonyl)amino]-4-Oxopentanoate
4-(ethoxycarbonyl)-3,5-dimethyl-1-phenyl-1H-pyrazol-2-ium
2-(2,6-Diaminohexanoylamino)-3-methylbutanoic acid
2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propanoic Acid
Valerylcarnitine
Valerylcarnitine is an endogenous metabolite, belonging to the short-chain acylcarnitines.
(2S)-2-(2-carboxylatoethylamino)-5-(diaminomethylideneazaniumyl)pentanoate
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylato-2-methylpropyl]amino}-5-oxopentanoate
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.
Acremolin B
An imidazopurine that is 4,5-dihydro-1H-imidazo[2,1-b]purine substituted by methyl, oxo, methyl, and isopropyl groups at positions 1, 4, 5, and 7, respectively. It is a natural product isolated from the deep-sea-derived fungus Aspergillus sp. SCSIO Ind09F01.
3-hydroxy-N-(1-hydroxy-3-methylpentan-2-yl)-5-oxohexanamide
4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
D-octopine(1-)
An D-alpha-amino acid anion arising from deprotonation of the carboxy groups and protonation of the guanidino group of D-octopine.
(3R)-3-pentanoyloxy-4-[tris(trideuteriomethyl)azaniumyl]butanoate
4-[3-(4-Aminobutylamino)propylamino]-4-oxobutanoic acid
(2S)-2-hydroxy-4-methyl-1-(1-methylindol-3-yl)pentan-3-one
4-[4-(3-Aminopropylamino)butylamino]-4-oxobutanoic acid
N-(3,3,4,4-Tetradeutero-4-phenylbutyryl)piperidin-2-one
N-(2,2,3,3-Tetradeutero-4-phenylbutyryl)piperidin-2-one
N-(2,2,4,4-Tetradeutero-4-phenylbutyryl)piperidin-2-one
N-(2,2,3,3,4,4-Hexadeutero-4-phenylbutyryl)piperidin-2-one
Methyl 5-ethyl-3-methyl-2-phenyl-1-pyrroline-4-carboxylate (3,4-trans-4,5-cis)
Methyl trans-5-ethyl-ref.-4-methyl-2-phenyl-1-pyrroline-4-carboxylate
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
gamma-Glu-Val(1-)
A peptide anion that is the conjugate base of gamma-Glu-Val, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.
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.
Gly-Gly-Ile zwitterion
A tripeptide zwitterion resulting from the transfer of a proton from the carboxy group to the amino group of Gly-Gly-Ile. Major microspecies at pH 7.3.
n-[2-(2,2-dimethylchromen-6-yl)ethyl]ethanimidic acid
(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
(2r)-2-hydroxy-1-(1h-indol-3-yl)-4-methylhexan-3-one
n-(2-methylpropyl)dodeca-2,4,10-trien-8-ynimidic acid
6-imino-1,7-dimethyl-3-(3-methylbuta-1,3-dien-1-yl)purin-2-one
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"}
