Exact Mass: 261.1953

Exact Mass Matches: 261.1953

Found 249 metabolites which its exact mass value is equals to given mass value 261.1953, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Metycaine

Piperocaine

C16H23NO2 (261.1729)


C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

Phenindamine

1H-Indeno(2,1-c)pyridine, 2,3,4,9-tetrahydro-2-methyl-9-phenyl-, hydrochloride

C19H19N (261.1517)


Phenindamine is an antihistamine. Phenindamine blocks the effects of the naturally occurring chemical histamine in your body. Antihistamines such as phenindamine appear to compete with histamine for histamine H1- receptor sites on effector cells. The antihistamines antagonize those pharmacological effects of histamine which are mediated through activation of H1- receptor sites and thereby reduce the intensity of allergic reactions and tissue injury response involving histamine release. It is used to treat sneezing, runny nose, itching, watery eyes, hives, rashes, itching, and other symptoms of allergies and the common cold. Symptoms of a phenindamine overdose include extreme sleepiness, confusion, weakness, ringing in the ears, blurred vision, large pupils, dry mouth, flushing, fever, shaking, insomnia, hallucinations, and possibly seizures. R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

Acrifoline

Alkaloid L27

C16H23NO2 (261.1729)


A quinolizidine alkaloid that is lycopodine having a C=C double bond at the 11-position, a keto substituent at the 8-position and the keto group at position 5 replaced by a beta-hydroxy group.

   
   

Cryptophorine

Cryptophorine

C17H27NO (261.2093)


   

Bufuralol

2-(tert-butylamino)-1-(7-ethyl-1-benzofuran-2-yl)ethan-1-ol

C16H23NO2 (261.1729)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Bufuralol (Ro 3-4787) is a potent non-selective, orally active β-adrenoreceptor antagonist with partial agonist activity. Bufuralol hydrochloride is a CYP2D6 probe substrate[1][2][3][4].

   

Hexylcaine

1-(cyclohexylamino)propan-2-yl benzoate

C16H23NO2 (261.1729)


Hexylcaine hydrochloride, also called cyclaine (Merck) or osmocaine, is a short-acting local anesthetic. It acts by inhibiting sodium channel conduction. Overdose can lead to headache, tinnitus, numbness and tingling around the mouth and tongue, convulsions, inability to breathe, and decreased heart function. C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

1-(2-aminophenyl)decane-1,3-dione

1-(2-aminophenyl)decane-1,3-dione

C16H23NO2 (261.1729)


   

desmethylcyclobenzaprine

methyl(3-{tricyclo[9.4.0.0³,⁸]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ylidene}propyl)amine

C19H19N (261.1517)


desmethylcyclobenzaprine is a metabolite of cyclobenzaprine. Cyclobenzaprine, brand name Flexeril, is a muscle relaxant medication used to relieve skeletal muscle spasms and associated pain in acute musculoskeletal conditions. It is the most well-studied drug for this application, and it also has been used off-label for fibromyalgia treatment. A new bedtime formulation of cyclobenzaprine is under development for the management of fibromyalgia syndrome. (Wikipedia)

   

Hydroxyl frovatriptan

8-hydroxy-3-(methylamino)-2,3,4,4a,9,9a-hexahydro-1H-carbazole-6-carboxamide

C14H19N3O2 (261.1477)


Hydroxyl frovatriptan is a metabolite of frovatriptan. Frovatriptan (trade name Frova) is a triptan drug developed by Vernalis for the treatment of migraine headaches and for short term prevention of menstrual migraine. The product is licensed to Endo Pharmaceuticals in North America and Menarini in Europe. (Wikipedia)

   

Beta-hydroxyisovaleroylcarnitine

(3R)-3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C12H23NO5 (261.1576)


3-Hydroxyisovalerylcarnitine is structual derivative of 3-hydroxyisovaleric acid and carnitine. Due to its increased concentration in blood, 3-hydroxyisovalerylcarnitine (C5OH-I) is an important indicator for the diagnosis of organic acidemias in newborns (PMID: 18088573). Analysis of acylcarnitines by tandem mass spectrometry (MS/MS) has recently been used to screen newborns for organic acidemias and fatty acid oxidation defects (PMID: 7494654, 9216448, 11427446, 12127323, 14578311). These diseases cause the accumulation of acyl-CoA, which is esterified to acylcarnitine by carnitine acyltransferase. Acylcarnitine is then eliminated in the urine, thus acylcarnitine concentration serves as an excellent indicator for these diseases (PMID: 6361812). 3-Hydroxyisovalerylcarnitine (C5OH-I) is an indicator for diagnoses of multiple carboxylase deficiency (MCD), 3-methylcrotonyl-CoA carboxylase deficiency and 3-hydroxy-3-methylglutaryl-CoA lyase deficiency (PMID: 18088573), which are inborn errors of metabolism.

   

hydroxyisovaleroyl carnitine

3-hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C12H23NO5 (261.1576)


hydroxyisovaleroyl carnitine is classified as a member of the Acyl carnitines. Acyl carnitines are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. hydroxyisovaleroyl carnitine is considered to be practically insoluble (in water) and acidic. hydroxyisovaleroyl carnitine is a fatty ester lipid molecule

   

2-Hydroxyisovalerylcarnitine

(3R)-3-{[(2R)-2-hydroxy-3-methylbutanoyl]oxy}-4-(trimethylazaniumyl)butanoic acid

C12H23NO5 (261.1576)


2-Hydroxyisovalerylcarnitine belongs to the class of organic compounds known as acylcarnitines. These are organic compounds containing a fatty acid with the carboxylic acid attached to carnitine through an ester bond. 2-Hydroxyisovalerylcarnitine is an extremely weak basic (i. e. Human blood levels of 2-hydroxyisovalerylcarnitine were reported to be influenced by genetic variants in the gene HLCS which codes for the enzyme holocarboxylase synthetase (PMID: 26401656). Holocarboxylase synthetase deficiency (OMIM: 253270), also called HLCS deficiency, is a rare inborn error of metabolism (IEM) and autosomal recessive disorder caused by a defective holocarboxylase synthetase. Individuals with HLCS deficiency are unable to utilize biotin effectively.

   

(2S,3R)-3-Hydroxy-2-methylbutanoylcarnitine

3-[(3-hydroxy-2-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C12H23NO5 (261.1576)


(2S,3R)-3-Hydroxy-2-methylbutanoylcarnitine is an acylcarnitine. More specifically, it is an (2S,3R)-3-hydroxy-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. (2S,3R)-3-Hydroxy-2-methylbutanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine (2S,3R)-3-Hydroxy-2-methylbutanoylcarnitine 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].

   

3-Hydroxyvalerylcarnitine

3-[(3-hydroxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C12H23NO5 (261.1576)


3-Hydroxyvalerylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxypentanoic 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-Hydroxyvalerylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-Hydroxyvalerylcarnitine 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 3-Hydroxyvalerylcarnitine is elevated in the blood or plasma of individuals with 3-hydroxy-3-methylglutaryl-coenzyme A lyase deficiency (PMID: 28583327) and holocarboxylase synthetase deficiency (PMID: 27114915). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). 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].

   

5-Hydroxypentanoylcarnitine

3-[(5-hydroxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C12H23NO5 (261.1576)


5-hydroxypentanoylcarnitine is an acylcarnitine. More specifically, it is an 5-hydroxypentanoic 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. 5-hydroxypentanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 5-hydroxypentanoylcarnitine 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 5-hydroxypentanoylcarnitine is elevated in the blood or plasma of individuals with 3-hydroxy-3-methylglutaryl-coenzyme A lyase deficiency (PMID: 28583327) and holocarboxylase synthetase deficiency (PMID: 27114915). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). 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 pyridine N-oxide

N-cyano-N-(3,3-dimethylbutan-2-yl)-N-(1-hydroxy-1,4-dihydropyridin-4-ylidene)guanidine

C13H19N5O (261.159)


   

Setiptiline

4-methyl-4-azatetracyclo[13.4.0.0²,⁷.0⁸,¹³]nonadeca-1(19),2(7),8,10,12,15,17-heptaene

C19H19N (261.1517)


C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant Setiptiline (Org-8282) is a serotonin receptor antagonist. Setiptiline is a tetracyclic antidepressant (TeCA) which acts as a noradrenergic and specific serotonergic antidepressant (NaSSA). Setiptiline acts as a norepinephrine reuptake inhibitor, α2-adrenergic receptor antagonist, and serotonin receptor antagonist, likely at the 5-HT2A, 5-HT2C, and/or 5-HT3 subtypes, as well as an H1 receptor inverse agonist/antihistamine.

   

Zilpaterol

9-hydroxy-10-[(propan-2-yl)amino]-1,3-diazatricyclo[6.4.1.0^{4,13}]trideca-4,6,8(13)-trien-2-one

C14H19N3O2 (261.1477)


   

(-)-N-(N-Acetylaminomethyl)cytisine

(-)-N-(N-Acetylaminomethyl)cytisine

C14H19N3O2 (261.1477)


   

Gnidioidine

11,12-Didehydroclavonoline

C16H23NO2 (261.1729)


   

Lycoposerramine C

Lycoposerramine C

C16H23NO2 (261.1729)


   

Lycoposerramine I

Lycoposerramine I

C16H23NO2 (261.1729)


   
   

Lycophlegmine

Lycophlegmine

C16H23NO2 (261.1729)


   

Lycoposerramine K

Lycoposerramine K

C16H23NO2 (261.1729)


   

Anhydroaposerratinine

Anhydroaposerratinine

C16H23NO2 (261.1729)


   

Lycoposerramine H

Lycoposerramine H

C16H23NO2 (261.1729)


   

Isoinundatine

2-Oxolycopecurine 5-ketone

C16H23NO2 (261.1729)


   

Phlegmariurine B

Phlegmariurine B

C16H23NO2 (261.1729)


   

Axisothiocyanate 4

(1R,3aR,7aR)-Octahydro-1-(1-isothiocyanato-2-methyl-1-propenyl)-3a-methyl-7-methylene-1H-indene

C16H23NS (261.1551)


   
   

Phlegmariurine A

Phlegmariurine A

C16H23NO2 (261.1729)


   

5-methylbenzene-1,3-diol

5-methylbenzene-1,3-diol

C16H23NO2 (261.1729)


   
   

Zilpaterol

Zilpaterol

C14H19N3O2 (261.1477)


C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator

   

Prodine

1,3-diphenyl-1-hexanone

C16H23NO2 (261.1729)


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

   

Ethyl 5-cyano-2-(diethylamino)-6-methylnicotinate

Ethyl 5-cyano-2-(diethylamino)-6-methylnicotinate

C14H19N3O2 (261.1477)


   

Acetamide, N-[4,5-dimethyl-2-(1-oxohexyl)phenyl]-

Acetamide, N-[4,5-dimethyl-2-(1-oxohexyl)phenyl]-

C16H23NO2 (261.1729)


   

N-(1-Adamantyl)-N-(2-cyanoacetyl)urea

N-(1-Adamantyl)-N-(2-cyanoacetyl)urea

C14H19N3O2 (261.1477)


   

4-Methoxy-alpha-pyrrolidinovalerophenone

4-Methoxy-alpha-pyrrolidinovalerophenone

C16H23NO2 (261.1729)


   

Propylphenidate

Propylphenidate

C16H23NO2 (261.1729)


   

ISOPROPYLPHENIDATE

ISOPROPYLPHENIDATE

C16H23NO2 (261.1729)


   

2-Amino-1,3,4-tetradecanetriol

2-Amino-1,3,4-tetradecanetriol

C14H31NO3 (261.2304)


A tetrol that is 2-aminotetradecane with the theree hydroxy substituents located at position 1, 3, and 4.

   

10-isothiocyanato-4,6-amorphadiene

10-isothiocyanato-4,6-amorphadiene

C16H23NS (261.1551)


   

11alpha-hydroxyfawcettidine

11alpha-hydroxyfawcettidine

C16H23NO2 (261.1729)


   

alpha-5-C-(1,3-dihydroxybutyl)-hyacinthacine A1

alpha-5-C-(1,3-dihydroxybutyl)-hyacinthacine A1

C12H23NO5 (261.1576)


   

dodeca-2,4,8,10-tetraenoic acid 2-methylbutylamide

dodeca-2,4,8,10-tetraenoic acid 2-methylbutylamide

C17H27NO (261.2093)


   

3,10-Dioxo-12-methyl-decahydro-1H-8,10b-propano-benzo(ij)chinolin|3,10-Dioxo-12-methyl-decahydro-1H-8,10b-propano-benzochinolin|3,10-Dioxo-12-methyldecahydro-1H-8,10b-propano-benzochinolizin

3,10-Dioxo-12-methyl-decahydro-1H-8,10b-propano-benzo(ij)chinolin|3,10-Dioxo-12-methyl-decahydro-1H-8,10b-propano-benzochinolin|3,10-Dioxo-12-methyldecahydro-1H-8,10b-propano-benzochinolizin

C16H23NO2 (261.1729)


   

Tetrahydrodarlingianin|Tetrahydrodarlingianine

Tetrahydrodarlingianin|Tetrahydrodarlingianine

C17H27NO (261.2093)


   

Dihydrojoubertiamin|dihydrojoubertiamine

Dihydrojoubertiamin|dihydrojoubertiamine

C16H23NO2 (261.1729)


   
   
   

(E,Z)-N-[2-(1H-Imidazol-4-yl)ethyl]-2,4-decadienamide

(E,Z)-N-[2-(1H-Imidazol-4-yl)ethyl]-2,4-decadienamide

C15H23N3O (261.1841)


   

8-Deoxy-13-dehydroserratinin|8-deoxy-13-dehydroserratinine

8-Deoxy-13-dehydroserratinin|8-deoxy-13-dehydroserratinine

C16H23NO2 (261.1729)


   

lycopoclavamine-A

lycopoclavamine-A

C16H23NO2 (261.1729)


   

(?)-4-(4-methoxyphenyl)-1-piperidin-2-ylbutan-2-one|1-(2-piperidyl)-4-(p-methoxyphenyl)-2-butanone|1-(2-piperidyl)-4-(p-methoxyphenyl)-butanone-2

(?)-4-(4-methoxyphenyl)-1-piperidin-2-ylbutan-2-one|1-(2-piperidyl)-4-(p-methoxyphenyl)-2-butanone|1-(2-piperidyl)-4-(p-methoxyphenyl)-butanone-2

C16H23NO2 (261.1729)


   

(5aR,7S,8R)-8-butyl-2,3,4,5,5a,6,7,8-octahydro-2-imino-7-methylcyclopenta[de]quinazolin-8-ol|1,8a:8b,3a-didehydro-8alpha-hydroxyptilocaulin|8alpha-hydroxymirabilin B

(5aR,7S,8R)-8-butyl-2,3,4,5,5a,6,7,8-octahydro-2-imino-7-methylcyclopenta[de]quinazolin-8-ol|1,8a:8b,3a-didehydro-8alpha-hydroxyptilocaulin|8alpha-hydroxymirabilin B

C15H23N3O (261.1841)


   

12-deoxyhuperzine|12-deoxyhuperzine O

12-deoxyhuperzine|12-deoxyhuperzine O

C16H23NO2 (261.1729)


   

(2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenemide|Lanyuamide V

(2E,4E,8E,10E)-N-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenemide|Lanyuamide V

C16H23NO2 (261.1729)


   
   

1-(4-dimethylamino-butyryl)-2-pyridin-3-yl-pyrrolidine|N-(4-Dimethylaminobutanoyl)nornicotin

1-(4-dimethylamino-butyryl)-2-pyridin-3-yl-pyrrolidine|N-(4-Dimethylaminobutanoyl)nornicotin

C15H23N3O (261.1841)


   

Acanthene B

Acanthene B

C16H23NS (261.1551)


   
   

SCHEMBL3288749

SCHEMBL3288749

C16H23NO2 (261.1729)


   

N1-Norphysostigmine

N1-Norphysostigmine

C14H19N3O2 (261.1477)


   

Pinacidil-N-Oxide

Pinacidil-N-Oxide

C13H19N5O (261.159)


   

5-Hydroxy-6-desmethylprimaquine

5-Hydroxy-6-desmethylprimaquine

C14H19N3O2 (261.1477)


   

(2S,6R,7S,8S)-2-allyl-7-((E)-buta-1,3-dien-1-yl)-1-azaspiro[5.5]undecan-8-ol

(2S,6R,7S,8S)-2-allyl-7-((E)-buta-1,3-dien-1-yl)-1-azaspiro[5.5]undecan-8-ol

C17H27NO (261.2093)


   

3-Hydroxyisovalerylcarnitine

3-(3-hydroxy-3-methylbutanoyl)oxy-4-(trimethylazaniumyl)butanoate

C12H23O5N1 (261.1576)


3-hydroxyisovalerylcarnitine is an O-acylcarnitine having 3-hydroxyisovaleryl as the acyl substituent. It has a role as a human metabolite. It is functionally related to a 3-hydroxyisovaleric acid. 3-Hydroxyisovalerylcarnitine is a specific amino acid derivative that belongs to the class of compounds known as carnitines. This molecule plays a crucial role in the transport of fatty acids into the mitochondria for oxidation, a key process in energy production. The name "3-Hydroxyisovalerylcarnitine" reflects its chemical structure: it consists of a carnitine moiety attached to a 3-hydroxyisovaleryl group. The term "3-hydroxyisovaleryl" refers to a side chain derived from a pentanoic acid (a five-carbon acid) that contains a hydroxyl group (-OH) bonded to the third carbon atom in the chain. This hydroxyl group is critical for the compound's function and is a distinguishing feature of this particular carnitine derivative. 3-Hydroxyisovalerylcarnitine involved in fatty acid metabolism, characterized by its unique hydroxyisovaleryl substituent attached to the carnitine backbone.

   

CAR 5:0;O

3-[(3-hydroxy-3-methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C12H23NO5 (261.1576)


   

4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butenamine

4-[4-(Piperidinomethyl)pyridyl-2-oxy]-cis-2-butenamine

C15H23N3O (261.1841)


   

N-[3-(Trimethoxysilyl)propyl]cyclohexanamine

N-[3-(Trimethoxysilyl)propyl]cyclohexanamine

C12H27NO3Si (261.176)


   

1-benzyl-4-(dimethylamino)piperidine-4-carboxamide

1-benzyl-4-(dimethylamino)piperidine-4-carboxamide

C15H23N3O (261.1841)


   

3-Acetamidophenylboronic acid, pinacol ester

3-Acetamidophenylboronic acid, pinacol ester

C14H20BNO3 (261.1536)


   

1-CBZ-PIPERIDINE-4-CARBOXAMIDINE HYDROCHLORIDE

1-CBZ-PIPERIDINE-4-CARBOXAMIDINE HYDROCHLORIDE

C14H19N3O2 (261.1477)


   

(4-(Cyclohexyl(methyl)carbamoyl)phenyl)boronic acid

(4-(Cyclohexyl(methyl)carbamoyl)phenyl)boronic acid

C14H20BNO3 (261.1536)


   

FMOC-D-ALLYLGLYCINE

FMOC-D-ALLYLGLYCINE

C17H27NO (261.2093)


   
   

Piperidine,2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]-, (2S)-

Piperidine,2-[(2S,4S)-2-ethyl-2-phenyl-1,3-dioxolan-4-yl]-, (2S)-

C16H23NO2 (261.1729)


   

3-(N-Methylaminocarbonyl)phenylboronic acid, pinacol ester

3-(N-Methylaminocarbonyl)phenylboronic acid, pinacol ester

C14H20BNO3 (261.1536)


   

3-(isononyloxy)propylammonium acetate

3-(isononyloxy)propylammonium acetate

C14H31NO3 (261.2304)


   

tert-Butyl (5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylcarbamate

tert-Butyl (5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methylcarbamate

C14H19N3O2 (261.1477)


   

BENZYL-(1-NAPHTHALEN-2-YL-ETHYL)AMINE

BENZYL-(1-NAPHTHALEN-2-YL-ETHYL)AMINE

C19H19N (261.1517)


   

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine

C14H20BNO3 (261.1536)


   

4-[butyl(propyl)amino]-2-nitrobenzonitrile

4-[butyl(propyl)amino]-2-nitrobenzonitrile

C14H19N3O2 (261.1477)


   

4-[butan-2-yl(propyl)amino]-2-nitrobenzonitrile

4-[butan-2-yl(propyl)amino]-2-nitrobenzonitrile

C14H19N3O2 (261.1477)


   

5-[butyl(propyl)amino]-2-nitrobenzonitrile

5-[butyl(propyl)amino]-2-nitrobenzonitrile

C14H19N3O2 (261.1477)


   

2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

2-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide

C14H20BNO3 (261.1536)


   

N-tert-Butoxycarbonylserine tert-butyl ester

N-tert-Butoxycarbonylserine tert-butyl ester

C12H23NO5 (261.1576)


   

N,N-DIMETHYL-1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANAMINE

N,N-DIMETHYL-1-(3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)METHANAMINE

C15H24BNO2 (261.19)


   

(S)-2-amino-N-((S)-3-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-yl)propanamide

(S)-2-amino-N-((S)-3-Methyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[d]azepin-1-yl)propanamide

C14H19N3O2 (261.1477)


   

5-[butan-2-yl(propyl)amino]-2-nitrobenzonitrile

5-[butan-2-yl(propyl)amino]-2-nitrobenzonitrile

C14H19N3O2 (261.1477)


   

4-[hexyl(methyl)amino]-2-nitrobenzonitrile

4-[hexyl(methyl)amino]-2-nitrobenzonitrile

C14H19N3O2 (261.1477)


   

2-(4-Methoxybenzyl)-1,3,3-triMethylpiperidin-4-one

2-(4-Methoxybenzyl)-1,3,3-triMethylpiperidin-4-one

C16H23NO2 (261.1729)


   

N-BENZYL-1,2,3,4-TETRAHYDROCARBAZOLE

N-BENZYL-1,2,3,4-TETRAHYDROCARBAZOLE

C19H19N (261.1517)


   

3-(DIETHYLAMINO)PROPYL CINNAMATE

3-(DIETHYLAMINO)PROPYL CINNAMATE

C16H23NO2 (261.1729)


   

(R)-N-BOC-(5-BROMO-2-METHOXYPHENYL)ALANINE

(R)-N-BOC-(5-BROMO-2-METHOXYPHENYL)ALANINE

C12H23NO5 (261.1576)


   

7,7-dimethyl-3-pentyl-6,8-dihydro-1H-quinoline-2,5-dione

7,7-dimethyl-3-pentyl-6,8-dihydro-1H-quinoline-2,5-dione

C16H23NO2 (261.1729)


   

4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ACETANILIDE

4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ACETANILIDE

C14H20BNO3 (261.1536)


   

(s)-methyl 4-(boc-(methyl)amino)-5-hydroxypentanoate

(s)-methyl 4-(boc-(methyl)amino)-5-hydroxypentanoate

C12H23NO5 (261.1576)


   

Boc-Ser(tBu)-OH

Boc-Ser(tBu)-OH

C12H23NO5 (261.1576)


   

Ethyl 4-(4,4-dimethyl-1-piperidinyl)benzoate

Ethyl 4-(4,4-dimethyl-1-piperidinyl)benzoate

C16H23NO2 (261.1729)


   

[8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]dec-8-yl]Methylamine

[8-(3-Methylphenyl)-1,4-dioxaspiro[4.5]dec-8-yl]Methylamine

C16H23NO2 (261.1729)


   

alpha,alpha,alpha-trimethyl-1,3,5-triazine-1,3,5(2H,4H,6H)-triethanol

alpha,alpha,alpha-trimethyl-1,3,5-triazine-1,3,5(2H,4H,6H)-triethanol

C12H27N3O3 (261.2052)


   

Ethyl 1-benzyl-4,4-dimethylpyrrolidine-3-carboxylate

Ethyl 1-benzyl-4,4-dimethylpyrrolidine-3-carboxylate

C16H23NO2 (261.1729)


   

5-FLUORO-3-(3-(PIPERAZIN-1-YL)PROPYL)-1H-INDOLE

5-FLUORO-3-(3-(PIPERAZIN-1-YL)PROPYL)-1H-INDOLE

C15H20FN3 (261.1641)


   

4-((n,n-dimethylamino)methyl)phenylboronic acid pinacol ester hydrochloride

4-((n,n-dimethylamino)methyl)phenylboronic acid pinacol ester hydrochloride

C15H24BNO2 (261.19)


   

Amixetrine

Amixetrine

C17H27NO (261.2093)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

N-BOC-(2R,3S)-2-HYDROXY-3-AMINO-5-METHYLHEXANOIC ACID

N-BOC-(2R,3S)-2-HYDROXY-3-AMINO-5-METHYLHEXANOIC ACID

C12H23NO5 (261.1576)


   

N-CYCLOPROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE

N-CYCLOPROPYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDIN-2-AMINE

C13H20BN3O2 (261.1648)


   

Boc-(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid

Boc-(2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid

C12H23NO5 (261.1576)


   

(2S,3S)-3-((TERT-BUTOXYCARBONYL)AMINO)-2-HYDROXY-5-METHYLHEXANOIC ACID

(2S,3S)-3-((TERT-BUTOXYCARBONYL)AMINO)-2-HYDROXY-5-METHYLHEXANOIC ACID

C12H23NO5 (261.1576)


   

1-Piperidinecarboxylic acid, 4-phenyl-, 1,1-dimethylethyl ester

1-Piperidinecarboxylic acid, 4-phenyl-, 1,1-dimethylethyl ester

C16H23NO2 (261.1729)


   

7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine

7-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-benzo[b][1,4]oxazine

C14H20BNO3 (261.1536)


   

2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine

2,2,6,6-tetramethyl-1-(1-phenylethoxy)piperidine

C17H27NO (261.2093)


   

DIMETHYL-[2-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZYL]-AMINE

DIMETHYL-[2-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZYL]-AMINE

C15H24BNO2 (261.19)


   

(8-Benzyl-1-oxa-8-azaspiro[4.5]dec-2-yl)methanol

(8-Benzyl-1-oxa-8-azaspiro[4.5]dec-2-yl)methanol

C16H23NO2 (261.1729)


   

N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C14H20BNO3 (261.1536)


   

4-Piperidinecarboxamide,4-(ethylamino)-1-(phenylmethyl)-

4-Piperidinecarboxamide,4-(ethylamino)-1-(phenylmethyl)-

C15H23N3O (261.1841)


   
   

(R)-N-(3-((2-AMINOETHYL)AMINO)-3-OXOPROPYL)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANAMIDE

(R)-N-(3-((2-AMINOETHYL)AMINO)-3-OXOPROPYL)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANAMIDE

C11H23N3O4 (261.1688)


   

Decarbonyl zolmitriptan

Decarbonyl zolmitriptan

C15H23N3O (261.1841)


   

N-[2-(Isopropylamino)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

N-[2-(Isopropylamino)ethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

C15H23N3O (261.1841)


   

1-Piperidinecarboxylic acid, 3-hydroxy-4,4-dimethoxy-, 1,1-dimethylethyl ester

1-Piperidinecarboxylic acid, 3-hydroxy-4,4-dimethoxy-, 1,1-dimethylethyl ester

C12H23NO5 (261.1576)


   

(3-(CYCLOHEXYL(METHYL)CARBAMOYL)PHENYL)BORONIC ACID

(3-(CYCLOHEXYL(METHYL)CARBAMOYL)PHENYL)BORONIC ACID

C14H20BNO3 (261.1536)


   

octanal / methyl anthranilate schiffs base

octanal / methyl anthranilate schiffs base

C16H23NO2 (261.1729)


   

ethyl (1S,2S)-2-[(1S)-phenylethyl]aminocyclopentane-1-carboxylate

ethyl (1S,2S)-2-[(1S)-phenylethyl]aminocyclopentane-1-carboxylate

C16H23NO2 (261.1729)


   

Diethyl (2-(cyclohexylamino)vinyl)phosphonate

Diethyl (2-(cyclohexylamino)vinyl)phosphonate

C12H24NO3P (261.1494)


   

N-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

N-Isopropyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C15H24BNO2 (261.19)


   

propan-2-yl 1-methyl-4-phenylpiperidine-4-carboxylate

propan-2-yl 1-methyl-4-phenylpiperidine-4-carboxylate

C16H23NO2 (261.1729)


   

1-octyl-3-methylimidazolium dicyanamide

1-octyl-3-methylimidazolium dicyanamide

C14H23N5 (261.1953)


   

1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-boronic acid pinacol ester

1-Cyclopropyl-6-oxo-1,6-dihydropyridine-3-boronic acid pinacol ester

C14H20BNO3 (261.1536)


   

Tetraethylammonium acetate tetrahydrate

Tetraethylammonium acetate tetrahydrate

C10H31NO6 (261.2151)


   

3-Methyl-1-(tricyclo[3.3.1.1(3,7)]dec-1-ylcarbonyl)piperidine

3-Methyl-1-(tricyclo[3.3.1.1(3,7)]dec-1-ylcarbonyl)piperidine

C17H27NO (261.2093)


   

4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-amine

4-(3,4-diethoxyphenyl)-3-methyl-1H-pyrazol-5-amine

C14H19N3O2 (261.1477)


   

4-[1-(4,5-DIHYDRO-4,4-DIMETHYL-2-OXAZOLYL)-1-METHYLETHYL]-BENZENEETHANOL

4-[1-(4,5-DIHYDRO-4,4-DIMETHYL-2-OXAZOLYL)-1-METHYLETHYL]-BENZENEETHANOL

C16H23NO2 (261.1729)


   

2-(Ethylaminomethyl)phenylboronic acid,pinacol ester

2-(Ethylaminomethyl)phenylboronic acid,pinacol ester

C15H24BNO2 (261.19)


   

1-METHYL-5-AMINO-1H-BENZIMIDAZOLE-2-BUTANOIC ACID ETHYLESTER

1-METHYL-5-AMINO-1H-BENZIMIDAZOLE-2-BUTANOIC ACID ETHYLESTER

C14H19N3O2 (261.1477)


   

boc-(2r,3r)-3-amino-2-hydroxy-5-methylhexanoic acid

boc-(2r,3r)-3-amino-2-hydroxy-5-methylhexanoic acid

C12H23NO5 (261.1576)


   

betaprodine

betaprodine

C16H23NO2 (261.1729)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

   

2-Acetylaminophenylboronic acid pinacol ester

2-Acetylaminophenylboronic acid pinacol ester

C14H20BNO3 (261.1536)


   

N-[3-[(2-Cyanoethyl)ethylamino]-4-methoxyphenyl]acetamide

N-[3-[(2-Cyanoethyl)ethylamino]-4-methoxyphenyl]acetamide

C14H19N3O2 (261.1477)


   

ethoheptazine

ethoheptazine

C16H23NO2 (261.1729)


C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist

   

Norcyclobenzaprine

Norcyclobenzaprine

C19H19N (261.1517)


   

9-Hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7-trien-2-one

9-Hydroxy-10-(propan-2-ylamino)-1,3-diazatricyclo[6.4.1.0^{4,13}]trideca-4(13),5,7-trien-2-one

C14H19N3O2 (261.1477)


   

Etoxadrol

Etoxadrol

C16H23NO2 (261.1729)


C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

(2S)-2-amino-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide

(2S)-2-amino-N-[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]-4-methylpentanamide

C11H23N3O2S (261.1511)


   

3-Allyl-2-[2-(diethylamino)ethoxy]benzaldehyde

3-Allyl-2-[2-(diethylamino)ethoxy]benzaldehyde

C16H23NO2 (261.1729)


   

dl-alpha-Prodine

dl-alpha-Prodine

C16H23NO2 (261.1729)


D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics

   

Setiptiline

Setiptiline

C19H19N (261.1517)


C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent > C94727 - Tricyclic Antidepressant Setiptiline (Org-8282) is a serotonin receptor antagonist. Setiptiline is a tetracyclic antidepressant (TeCA) which acts as a noradrenergic and specific serotonergic antidepressant (NaSSA). Setiptiline acts as a norepinephrine reuptake inhibitor, α2-adrenergic receptor antagonist, and serotonin receptor antagonist, likely at the 5-HT2A, 5-HT2C, and/or 5-HT3 subtypes, as well as an H1 receptor inverse agonist/antihistamine.

   

Deoxy-PF-1140

Deoxy-PF-1140

C16H23NO2 (261.1729)


   

(3S)-3-[(3-hydroxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

(3S)-3-[(3-hydroxypentanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C12H23NO5 (261.1576)


   

2-Heptyl-3,4-dihydroxyquinoline

2-Heptyl-3,4-dihydroxyquinoline

C16H23NO2 (261.1729)


   

(R)-3-((3-Hydroxy-3-methylbutanoyl)oxy)-4-(trimethylammonio)butanoate

(R)-3-((3-Hydroxy-3-methylbutanoyl)oxy)-4-(trimethylammonio)butanoate

C12H23NO5 (261.1576)


   

2-Hydroxyisovalerylcarnitine

2-Hydroxyisovalerylcarnitine

C12H23NO5 (261.1576)


   

4-Hydroxyvalerylcarnitine

4-Hydroxyvalerylcarnitine

C12H23NO5 (261.1576)


   

2-Amino-5,6-dimethyl-benzimidazole-1-pentanoic acid

2-Amino-5,6-dimethyl-benzimidazole-1-pentanoic acid

C14H19N3O2 (261.1477)


   

2-[(Dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol

2-[(Dimethylamino)methyl]-4-methyl-6-(1-methylcyclohexyl)phenol

C17H27NO (261.2093)


   

Hydroxyvalerylcarnitine

Hydroxyvalerylcarnitine

C12H23NO5 (261.1576)


   

3-Hydroxy-3-[hydroxy-(trimethylazaniumyl)methyl]-6-methyl-4-oxoheptanoate

3-Hydroxy-3-[hydroxy-(trimethylazaniumyl)methyl]-6-methyl-4-oxoheptanoate

C12H23NO5 (261.1576)


   

Oxymetazoline(1+)

Oxymetazoline(1+)

C16H25N2O+ (261.1967)


   

Tetradecaphytosphingosine

Tetradecaphytosphingosine

C14H31NO3 (261.2304)


   

2-hydroxypentanoyl-L-carnitine

2-hydroxypentanoyl-L-carnitine

C12H23NO5 (261.1576)


   

(1E)-1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one

(1E)-1-[(2-methylphenyl)hydrazinylidene]-1-morpholin-4-ylpropan-2-one

C14H19N3O2 (261.1477)


   

2-Methyl-1-(4-N,N-dimethylaminophenyl)naphthalene

2-Methyl-1-(4-N,N-dimethylaminophenyl)naphthalene

C19H19N (261.1517)


   

1-Benzyl-3-trimethylsilanyloxy-1,2,3,6-tetrahydropyridine

1-Benzyl-3-trimethylsilanyloxy-1,2,3,6-tetrahydropyridine

C15H23NOSi (261.1549)


   

Phenindamine

Phenindamine

C19H19N (261.1517)


R - Respiratory system > R06 - Antihistamines for systemic use > R06A - Antihistamines for systemic use D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist

   

HEXYLCAINE

HEXYLCAINE

C16H23NO2 (261.1729)


C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent

   

Bufuralol

(+/-)-bufuralol

C16H23NO2 (261.1729)


C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Bufuralol (Ro 3-4787) is a potent non-selective, orally active β-adrenoreceptor antagonist with partial agonist activity. Bufuralol hydrochloride is a CYP2D6 probe substrate[1][2][3][4].

   

hydroxyisovaleroyl carnitine

hydroxyisovaleroyl carnitine

C12H23NO5 (261.1576)


   

Hydroxyl frovatriptan

Hydroxyl frovatriptan

C14H19N3O2 (261.1477)


   

Hydroxyisovaleroylcarnitine

3-(3-hydroxy-3-methylbutanoyl)oxy-4-(trimethylazaniumyl)butanoate

C12H23NO5 (261.1576)


An O-acylcarnitine having 3-hydroxyisovaleryl as the acyl substituent.

   

O-(3-hydroxyvaleryl)-L-carnitine

O-(3-hydroxyvaleryl)-L-carnitine

C12H23NO5 (261.1576)


An O-acyl-L-carnitine in which the acyl group is specified as 3-hydroxyvaleryl.

   

(5Z,9Z,12Z)-octadeca-5,9,12-trienoyl group

(5Z,9Z,12Z)-octadeca-5,9,12-trienoyl group

C18H29O (261.2218)


   

O-(hydroxyvaleryl)carnitine

O-(hydroxyvaleryl)carnitine

C12H23NO5 (261.1576)


An O-acylcarnitine having hydroxyvaleryl as the acyl substituent in which the position of the hydroxy group is unspecified.

   

O-hydroxyvaleroyl-L-carnitine

O-hydroxyvaleroyl-L-carnitine

C12H23NO5 (261.1576)


An O-acyl-L-carnitine in which the acyl group specified is hydroxyvaleroyl in which the position of the hydroxy group is unspecified.

   

CAR 4:0;2OH,3Me

CAR 4:0;2OH,3Me

C12H23NO5 (261.1576)


   

CAR 4:0;OH,Me

CAR 4:0;OH,Me

C12H23NO5 (261.1576)


   
   

(1s,2s,4ar,8as)-1-isothiocyanato-4a-methyl-8-methylidene-2-(prop-1-en-2-yl)-octahydronaphthalene

(1s,2s,4ar,8as)-1-isothiocyanato-4a-methyl-8-methylidene-2-(prop-1-en-2-yl)-octahydronaphthalene

C16H23NS (261.1551)


   

(1s,10s,13s,14r,15s)-14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

(1s,10s,13s,14r,15s)-14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

C16H23NO2 (261.1729)


   

(1r,2r,3r,5r,7r,7ar)-5-[(3s)-3-hydroxybutyl]-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2,7-triol

(1r,2r,3r,5r,7r,7ar)-5-[(3s)-3-hydroxybutyl]-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2,7-triol

C12H23NO5 (261.1576)


   

4-[(2s)-1-isopropyl-4-methyl-5,6-dihydro-2h-pyridin-2-yl]-5-methylbenzene-1,3-diol

4-[(2s)-1-isopropyl-4-methyl-5,6-dihydro-2h-pyridin-2-yl]-5-methylbenzene-1,3-diol

C16H23NO2 (261.1729)


   

(10e)-n-(2-methylbutyl)dodeca-2,4,8,10-tetraenimidic acid

(10e)-n-(2-methylbutyl)dodeca-2,4,8,10-tetraenimidic acid

C17H27NO (261.2093)


   

(1s,4s,10s,13s,15r)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

(1s,4s,10s,13s,15r)-4-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

C16H23NO2 (261.1729)


   

n-{[(1r,9s)-6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl]methyl}ethanimidic acid

n-{[(1r,9s)-6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl]methyl}ethanimidic acid

C14H19N3O2 (261.1477)


   

(6r,6as,8r,10s,10ar)-6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-ol

(6r,6as,8r,10s,10ar)-6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-ol

C16H23NO2 (261.1729)


   

n-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenimidic acid

n-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenimidic acid

C16H23NO2 (261.1729)


   

(2r,3r,6r)-6-[(1e,3e,5e,7e)-deca-1,3,5,7-tetraen-1-yl]-1,2-dimethylpiperidin-3-ol

(2r,3r,6r)-6-[(1e,3e,5e,7e)-deca-1,3,5,7-tetraen-1-yl]-1,2-dimethylpiperidin-3-ol

C17H27NO (261.2093)


   

8-deoxy-13-dehydroserratinine

NA

C16H23NO2 (261.1729)


{"Ingredient_id": "HBIN013703","Ingredient_name": "8-deoxy-13-dehydroserratinine","Alias": "NA","Ingredient_formula": "C16H23NO2","Ingredient_Smile": "CC1CC2CC(=O)C3CCN4C3C2(CCC4)C(=O)C1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38592","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,2r,3r,5s,7ar)-5-(1,3-dihydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol

(1s,2r,3r,5s,7ar)-5-(1,3-dihydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol

C12H23NO5 (261.1576)


   

(1s,8ar)-4-isopropyl-1-isothiocyanato-1,6-dimethyl-3,7,8,8a-tetrahydro-2h-naphthalene

(1s,8ar)-4-isopropyl-1-isothiocyanato-1,6-dimethyl-3,7,8,8a-tetrahydro-2h-naphthalene

C16H23NS (261.1551)


   

(4s,6s)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione

(4s,6s)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione

C16H23NO2 (261.1729)


   

(1s,10s,13s,14s,15s)-14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

(1s,10s,13s,14s,15s)-14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

C16H23NO2 (261.1729)


   

(2r,4as,11ar,13as)-2-methyl-decahydro-1h-indeno[3a,3-i]indolizine-4,12-dione

(2r,4as,11ar,13as)-2-methyl-decahydro-1h-indeno[3a,3-i]indolizine-4,12-dione

C16H23NO2 (261.1729)


   

(1r,9s,11s,13s,14r)-9,11,13,14-tetramethyl-8-oxa-6-azatricyclo[7.4.1.0²,⁷]tetradeca-2,4,6-trien-3-ol

(1r,9s,11s,13s,14r)-9,11,13,14-tetramethyl-8-oxa-6-azatricyclo[7.4.1.0²,⁷]tetradeca-2,4,6-trien-3-ol

C16H23NO2 (261.1729)


   

(2e,4e,8z,10e)-n-[(2s)-2-methylbutyl]dodeca-2,4,8,10-tetraenimidic acid

(2e,4e,8z,10e)-n-[(2s)-2-methylbutyl]dodeca-2,4,8,10-tetraenimidic acid

C17H27NO (261.2093)


   

(1r,2s,4r,6s,9s)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-15-en-8-one

(1r,2s,4r,6s,9s)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-15-en-8-one

C16H23NO2 (261.1729)


   

14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

14-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

C16H23NO2 (261.1729)


   

(4r,6r)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione

(4r,6r)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione

C16H23NO2 (261.1729)


   

(1r,9r,10s)-9-butyl-6-imino-10-methyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),7-dien-9-ol

(1r,9r,10s)-9-butyl-6-imino-10-methyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),7-dien-9-ol

C15H23N3O (261.1841)


   

1-(1-methylpyrrolidin-2-yl)-6-phenylhexan-2-ol

1-(1-methylpyrrolidin-2-yl)-6-phenylhexan-2-ol

C17H27NO (261.2093)


   

(1r,2r,10s,12s,13r)-12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one

(1r,2r,10s,12s,13r)-12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one

C16H23NO2 (261.1729)


   

5-(3-hydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2,7-triol

5-(3-hydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2,7-triol

C12H23NO5 (261.1576)


   

(1s,2r,3r,5s,7ar)-5-[(1r,3s)-1,3-dihydroxybutyl]-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol

(1s,2r,3r,5s,7ar)-5-[(1r,3s)-1,3-dihydroxybutyl]-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol

C12H23NO5 (261.1576)


   

(1s,10s,12s,13r,15r)-12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

(1s,10s,12s,13r,15r)-12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

C16H23NO2 (261.1729)


   

6-(deca-1,3,5,7-tetraen-1-yl)-1,2-dimethylpiperidin-3-ol

6-(deca-1,3,5,7-tetraen-1-yl)-1,2-dimethylpiperidin-3-ol

C17H27NO (261.2093)


   

3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one

3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one

C16H23NO2 (261.1729)


   

9,11,13,14-tetramethyl-8-oxa-4-azatricyclo[7.4.1.0²,⁷]tetradeca-2(7),3,5-trien-3-ol

9,11,13,14-tetramethyl-8-oxa-4-azatricyclo[7.4.1.0²,⁷]tetradeca-2(7),3,5-trien-3-ol

C16H23NO2 (261.1729)


   

9,11,13,14-tetramethyl-8-oxa-6-azatricyclo[7.4.1.0²,⁷]tetradeca-2,4,6-trien-3-ol

9,11,13,14-tetramethyl-8-oxa-6-azatricyclo[7.4.1.0²,⁷]tetradeca-2,4,6-trien-3-ol

C16H23NO2 (261.1729)


   

(1r,2r,13r,15r)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-10-en-12-one

(1r,2r,13r,15r)-11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-10-en-12-one

C16H23NO2 (261.1729)


   

(1r,4r,5s,6r,9s)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-2-en-8-one

(1r,4r,5s,6r,9s)-5-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-2-en-8-one

C16H23NO2 (261.1729)


   

(2r)-1-[(2r)-1-methylpyrrolidin-2-yl]-6-phenylhexan-2-ol

(2r)-1-[(2r)-1-methylpyrrolidin-2-yl]-6-phenylhexan-2-ol

C17H27NO (261.2093)


   

11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-10-en-12-one

11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-10-en-12-one

C16H23NO2 (261.1729)


   

(2e,4e,8e,10e)-n-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenimidic acid

(2e,4e,8e,10e)-n-(2-methylpropyl)-12-oxododeca-2,4,8,10-tetraenimidic acid

C16H23NO2 (261.1729)


   

(4s,6r)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione

(4s,6r)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione

C16H23NO2 (261.1729)


   

(1r,2r,3r,5r,7r,7ar)-5-(3-hydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2,7-triol

(1r,2r,3r,5r,7r,7ar)-5-(3-hydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2,7-triol

C12H23NO5 (261.1576)


   

(1s,10s,13r,15s)-13-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

(1s,10s,13r,15s)-13-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

C16H23NO2 (261.1729)


   

(1r,2r,3s,10s,13s)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one

(1r,2r,3s,10s,13s)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one

C16H23NO2 (261.1729)


   

12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

C16H23NO2 (261.1729)


   

9-butyl-6-imino-10-methyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),7-dien-9-ol

9-butyl-6-imino-10-methyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),7-dien-9-ol

C15H23N3O (261.1841)


   

(1s,6r)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-4(13)-ene-2,8-dione

(1s,6r)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-4(13)-ene-2,8-dione

C16H23NO2 (261.1729)


   

6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione

6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-1(13)-ene-2,8-dione

C16H23NO2 (261.1729)


   

(1r,2s,4r,9s)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-6-en-8-one

(1r,2s,4r,9s)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-6-en-8-one

C16H23NO2 (261.1729)


   

(5s,6r)-6-[(8r,8as)-octahydroindolizine-8-carbonyl]-5-methylcyclohex-2-en-1-one

(5s,6r)-6-[(8r,8as)-octahydroindolizine-8-carbonyl]-5-methylcyclohex-2-en-1-one

C16H23NO2 (261.1729)


   

(1r,9s,10s)-9-butyl-6-imino-10-methyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),7-dien-9-ol

(1r,9s,10s)-9-butyl-6-imino-10-methyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-4(12),7-dien-9-ol

C15H23N3O (261.1841)


   

4-isopropyl-1-isothiocyanato-1,6-dimethyl-3,7,8,8a-tetrahydro-2h-naphthalene

4-isopropyl-1-isothiocyanato-1,6-dimethyl-3,7,8,8a-tetrahydro-2h-naphthalene

C16H23NS (261.1551)


   

6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-ol

6,6a,8,10-tetramethyl-6h,7h,8h,9h,10h,10ah-isochromeno[4,3-c]pyridin-1-ol

C16H23NO2 (261.1729)


   

11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-14-one

11-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-14-one

C16H23NO2 (261.1729)


   

4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one

4-[2-(dimethylamino)ethyl]-4-(4-hydroxyphenyl)cyclohexan-1-one

C16H23NO2 (261.1729)


   

(1r,2r,10r,12s,13r)-12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one

(1r,2r,10r,12s,13r)-12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one

C16H23NO2 (261.1729)


   

(1r,2r,3s,10s)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one

(1r,2r,3s,10s)-3-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one

C16H23NO2 (261.1729)


   

5-(1,3-dihydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol

5-(1,3-dihydroxybutyl)-3-(hydroxymethyl)-hexahydro-1h-pyrrolizine-1,2-diol

C12H23NO5 (261.1576)


   

(1s,10s,13r)-13-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

(1s,10s,13r)-13-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-2-en-11-one

C16H23NO2 (261.1729)


   

(1r,6r)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-4(13)-ene-2,8-dione

(1r,6r)-6-methyl-9-azatricyclo[7.4.3.0⁴,¹³]hexadec-4(13)-ene-2,8-dione

C16H23NO2 (261.1729)


   

(2e,4e,8z,10e)-n-(2-methylbutyl)dodeca-2,4,8,10-tetraenimidic acid

(2e,4e,8z,10e)-n-(2-methylbutyl)dodeca-2,4,8,10-tetraenimidic acid

C17H27NO (261.2093)


   

(1r,2r,4s,10r,11s,13s,15r)-11-hydroxy-15-methyl-6-azapentacyclo[8.6.0.0¹,⁶.0²,¹³.0⁴,¹⁰]hexadecan-8-one

(1r,2r,4s,10r,11s,13s,15r)-11-hydroxy-15-methyl-6-azapentacyclo[8.6.0.0¹,⁶.0²,¹³.0⁴,¹⁰]hexadecan-8-one

C16H23NO2 (261.1729)


   

(1r,9s,11s,13s,14r)-9,11,13,14-tetramethyl-8-oxa-4-azatricyclo[7.4.1.0²,⁷]tetradeca-2(7),3,5-trien-3-ol

(1r,9s,11s,13s,14r)-9,11,13,14-tetramethyl-8-oxa-4-azatricyclo[7.4.1.0²,⁷]tetradeca-2(7),3,5-trien-3-ol

C16H23NO2 (261.1729)


   

n-({6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl}methyl)ethanimidic acid

n-({6-oxo-7,11-diazatricyclo[7.3.1.0²,⁷]trideca-2,4-dien-11-yl}methyl)ethanimidic acid

C14H19N3O2 (261.1477)


   

4-(4-methoxyphenyl)-1-[(2r)-piperidin-2-yl]butan-2-one

4-(4-methoxyphenyl)-1-[(2r)-piperidin-2-yl]butan-2-one

C16H23NO2 (261.1729)


   

(2e,4z,8e,10e)-n-(2-methylbutyl)dodeca-2,4,8,10-tetraenimidic acid

(2e,4z,8e,10e)-n-(2-methylbutyl)dodeca-2,4,8,10-tetraenimidic acid

C17H27NO (261.2093)


   

12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one

12-hydroxy-15-methyl-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadec-14-en-11-one

C16H23NO2 (261.1729)


   

1-isothiocyanato-4a-methyl-8-methylidene-2-(prop-1-en-2-yl)-octahydronaphthalene

1-isothiocyanato-4a-methyl-8-methylidene-2-(prop-1-en-2-yl)-octahydronaphthalene

C16H23NS (261.1551)


   

(1s,2r,4s,6s)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-9-en-8-one

(1s,2r,4s,6s)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-9-en-8-one

C16H23NO2 (261.1729)


   

11-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-2-en-8-one

11-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-2-en-8-one

C16H23NO2 (261.1729)


   

(1r,4r,9s)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-6-en-8-one

(1r,4r,9s)-2-hydroxy-4-methyl-13-azatetracyclo[7.7.0.0¹,⁶.0²,¹³]hexadec-6-en-8-one

C16H23NO2 (261.1729)