Exact Mass: 305.2355

Exact Mass Matches: 305.2355

Found 136 metabolites which its exact mass value is equals to given mass value 305.2355, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Capsaicin

(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide

C18H27NO3 (305.1991)


Capsaicin is a capsaicinoid. It has a role as a non-narcotic analgesic, a voltage-gated sodium channel blocker and a TRPV1 agonist. Capsaicin is most often used as a topical analgesic and exists in many formulations of cream, liquid, and patch preparations of various strengths; however, it may also be found in some dietary supplements. Capsaicin is a naturally-occurring botanical irritant in chili peppers, synthetically derived for pharmaceutical formulations. The most recent capsaicin FDA approval was Qutenza, an 8\\\\\\% capsaicin patch dermal-delivery system, indicated for neuropathic pain associated with post-herpetic neuralgia. Capsaicin is a natural product found in Capsicum pubescens, Capsicum, and Capsicum annuum with data available. Capsaicin is a chili pepper extract with analgesic properties. Capsaicin is a neuropeptide releasing agent selective for primary sensory peripheral neurons. Used topically, capsaicin aids in controlling peripheral nerve pain. This agent has been used experimentally to manipulate substance P and other tachykinins. In addition, capsaicin may be useful in controlling chemotherapy- and radiotherapy-induced mucositis. Capsaicin is identified as the primary pungent principle in Capsicum fruits. Hot chili peppers that belong to the plant genus Capsicum (family Solanaceae) are among the most heavily consumed spices throughout the world. The capsaicin content of green and red peppers ranges from 0.1 to 1\\\\\\%. Capsaicin evokes numerous biological effects and thus has been the target of extensive., investigations since its initial identification in 1919. One of the most recognized physiological properties of capsaicin is its selective effects on the peripheral part of the sensory nervous system, particularly on the primary afferent neurons. The compound is known to deplete the neurotransmitter of painful impulses known as substance P from the sensory nerve terminals, which provides a rationale for its use as a versatile experimental tool for studying pain mechanisms and also for pharmacotherapy to treat some peripheral painful states, such as rheumatoid arthritis, post-herpetic neuralgia, post-mastectomy pain syndrome and diabetic neuropathy. Considering the frequent consumption of capsaicin as a food additive and its current therapeutic application, correct assessment of any harmful effects of this compound is important from the public health standpoint. Ingestion of large amounts of capsaicin has been reported to cause histopathological and biochemical changes, including erosion of gastric mucosa and hepatic necrosis. However, there are contradictory data on the mutagenicity of capsaicin. A recent epidemiological study conducted in Mexico revealed that consumers of chili pepper were at higher risk for gastric cancer than non-consumers. However, it remains unclear whether capsaicin present in hot chili pepper is a major causative factor in the aetiology of gastric cancer in humans. A growing number of recent studies have focused on anticarcinogenic or antimutagenic phytochemicals, particularly those included in human diet. In summary, capsaicin has dual effects on chemically induced carcinogenesis and mutagenesis. Although a minute amount of capsaicin displays few or no deleterious effects, heavy ingestion of the compound has been associated with necrosis, ulceration and even carcinogenesis. Capsaicin is considered to be metabolized by cytochrome P-450-dependent mixed-function oxidases to reactive species. (A7835). An alkylamide found in CAPSICUM that acts at TRPV CATION CHANNELS. See also: Capsicum (part of); Capsicum Oleoresin (active moiety of); Paprika (part of) ... View More ... Capsaicin is identified as the primary pungent principle in Capsicum fruits. Hot chili peppers that belong to the plant genus Capsicum (family Solanaceae) are among the most heavily consumed spices throughout the world. The capsaicin content of green and red peppers ranges from 0.1 to 1\\\\\\%. Capsaicin evokes numerous biological effects and thus has been the target of extensive., investigations since its initial identification in 1919. One of the most recognized physiological properties of capsaicin is its selective effects on the peripheral part of the sensory nervous system, particularly on the primary afferent neurons. The compound is known to deplete the neurotransmitter of painful impulses known as substance P from the sensory nerve terminals, which provides a rationale for its use as a versatile experimental tool for studying pain mechanisms and also for pharmacotherapy to treat some peripheral painful states, such as rheumatoid arthritis, post-herpetic neuralgia, post-mastectomy pain syndrome and diabetic neuropathy. Considering the frequent consumption of capsaicin as a food additive and its current therapeutic application, correct assessment of any harmful effects of this compound is important from the public health standpoint. Ingestion of large amounts of capsaicin has been reported to cause histopathological and biochemical changes, including erosion of gastric mucosa and hepatic necrosis. However, there are contradictory data on the mutagenicity of capsaicin. A recent epidemiological study conducted in Mexico revealed that consumers of chili pepper were at higher risk for gastric cancer than non-consumers. However, it remains unclear whether capsaicin present in hot chili pepper is a major causative factor in the aetiology of gastric cancer in humans. A growing number of recent studies have focused on anticarcinogenic or antimutagenic phytochemicals, particularly those included in human diet. In summary, capsaicin has dual effects on chemically induced carcinogenesis and mutagenesis. Although a minute amount of capsaicin displays few or no deleterious effects, heavy ingestion of the compound has been associated with necrosis, ulceration and even carcinogenesis. Capsaicin is considered to be metabolized by cytochrome P-450-dependent mixed-function oxidases to reactive species. (PMID: 8621114). M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AB - Capsaicin and similar agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic Flavouring ingredient. Pungent principle of various Capsicum subspecies (Solanaceae) D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local D003879 - Dermatologic Agents > D000982 - Antipruritics Acquisition and generation of the data is financially supported in part by CREST/JST. relative retention time with respect to 9-anthracene Carboxylic Acid is 1.208 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.207 Capsaicin ((E)-Capsaicin), an active component of chili peppers, is a TRPV1 agonist. Capsaicin has pain relief, antioxidant, anti-inflammatory, neuroprotection and anti-cancer effects[1][2]. Capsaicin ((E)-Capsaicin), an active component of chili peppers, is a TRPV1 agonist. Capsaicin has pain relief, antioxidant, anti-inflammatory, neuroprotection and anti-cancer effects[1][2]. Capsaicinoid is a mixture of Capsaicin and Dihydrocapsaicin. Capsaicinoid is an capsaicin receptor (TRPV1) agonist[1][2]. Capsaicinoid is a mixture of Capsaicin and Dihydrocapsaicin. Capsaicinoid is an capsaicin receptor (TRPV1) agonist[1][2].

   

NCIOpen2_008262

17beta-Nitro-5alpha-androstane

C19H31NO2 (305.2355)


   
   

N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide

N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enimidate

C18H27NO3 (305.1991)


   

Amafolone

5-amino-4-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-one

C19H31NO2 (305.2355)


   

Aurantiol

Methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoic acid

C18H27NO3 (305.1991)


   

Cianopramine

2-[3-(dimethylamino)propyl]-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carbonitrile

C20H23N3 (305.1892)


   

Cyanoimipramine

2-[3-(dimethylamino)propyl]-2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3,5,7,11,13-hexaene-9-carbonitrile

C20H23N3 (305.1892)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists

   

Fezolamine

[3-(3,4-diphenyl-1H-pyrazol-1-yl)propyl]dimethylamine

C20H23N3 (305.1892)


   

Indenopyridine

2-ethyl-7-methyl-5-(4-methylphenyl)-1H,2H,3H,4H,4aH,5H,9bH-indeno[1,2-c]pyridine

C22H27N (305.2143)


   

Nonyl acridine

1-nonylacridine

C22H27N (305.2143)


   

di-homo-gamma-linolenate

icosa-8,11,14-trienoic acid

C20H33O2 (305.248)


Di-homo-gamma-linolenate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Di-homo-gamma-linolenate can be found in a number of food items such as shiitake, boysenberry, jute, and cocoa bean, which makes di-homo-gamma-linolenate a potential biomarker for the consumption of these food products.

   

9-Demethylprotoemetinol

9-Demethylprotoemetinol

C18H27NO3 (305.1991)


   

Acetyldebenzoylalopecurine

2alpha-O-Acetyl-lycopecurine

C18H27NO3 (305.1991)


   

Lycophlegmarine

Lycophlegmarine

C18H27NO3 (305.1991)


   

1,4-Epoxy-3-aza-A-homoandrostan-17-ol

1,4-Epoxy-3-aza-A-homoandrostan-17-ol

C19H31NO2 (305.2355)


   

8-methyl-8-azabicyclo[3.2.1]oct-3-yl 4-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate|bonabiline B

8-methyl-8-azabicyclo[3.2.1]oct-3-yl 4-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate|bonabiline B

C18H27NO3 (305.1991)


   

17-hydroxyimino-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol

17-hydroxyimino-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-ol

C19H31NO2 (305.2355)


   

1,2,3,4,4a,5,7,8,14,14a-decahydro-5,14-ethano-indolo[2,3:3,4]pyrido[1,2-g][1,6]naphthyridine|Nitramidin|Nitramidine

1,2,3,4,4a,5,7,8,14,14a-decahydro-5,14-ethano-indolo[2,3:3,4]pyrido[1,2-g][1,6]naphthyridine|Nitramidin|Nitramidine

C20H23N3 (305.1892)


   
   

obscurumine B

obscurumine B

C18H27NO3 (305.1991)


   

3-Methoxy-4-O-methyljoubertiaminol

3-Methoxy-4-O-methyljoubertiaminol

C18H27NO3 (305.1991)


   

Acetyllycoposerramine M

Acetyllycoposerramine M

C18H27NO3 (305.1991)


   

5-acetyllycofoline

5-acetyllycofoline

C18H27NO3 (305.1991)


   

dehydroisofawcettiine

dehydroisofawcettiine

C18H27NO3 (305.1991)


   

N-isobutyl-(2E,4E,12Z)-hexadeca-2,4,12-trienamide

N-isobutyl-(2E,4E,12Z)-hexadeca-2,4,12-trienamide

C20H35NO (305.2719)


   

N-isobutyl-(2E,4E,10Z)-hexadeca-2,4,10-trienamide

N-isobutyl-(2E,4E,10Z)-hexadeca-2,4,10-trienamide

C20H35NO (305.2719)


   
   

(+)-clavepictine B|(3R,4S,6S,9aS)-6-((1E,3E)-deca-1,3-dienyl)-4-methyl-octahydro-quinolizin-3-ol|Clavepictine B

(+)-clavepictine B|(3R,4S,6S,9aS)-6-((1E,3E)-deca-1,3-dienyl)-4-methyl-octahydro-quinolizin-3-ol|Clavepictine B

C20H35NO (305.2719)


   

CHEMBL1079551

CHEMBL1079551

C20H35NO (305.2719)


   

7-Hydroxy-3,6-ditigloyloxytropan

7-Hydroxy-3,6-ditigloyloxytropan

C18H27NO3 (305.1991)


   

CHEMBL1080467

CHEMBL1080467

C20H35NO (305.2719)


   
   

Capsaicin

Capsaicin

C18H27NO3 (305.1991)


Capsaicin ((E)-Capsaicin), an active component of chili peppers, is a TRPV1 agonist. Capsaicin has pain relief, antioxidant, anti-inflammatory, neuroprotection and anti-cancer effects[1][2]. Capsaicin ((E)-Capsaicin), an active component of chili peppers, is a TRPV1 agonist. Capsaicin has pain relief, antioxidant, anti-inflammatory, neuroprotection and anti-cancer effects[1][2]. Capsaicinoid is a mixture of Capsaicin and Dihydrocapsaicin. Capsaicinoid is an capsaicin receptor (TRPV1) agonist[1][2]. Capsaicinoid is a mixture of Capsaicin and Dihydrocapsaicin. Capsaicinoid is an capsaicin receptor (TRPV1) agonist[1][2].

   

(Z)-Capsaicin

NCGC00017337-18_C18H27NO3_6-Nonenamide, N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-, (6E)-

C18H27NO3 (305.1991)


   

(+)-Samandarine

(+)-Samandarine

C19H31NO2 (305.2355)


   

(7R,E)-8-((8S,Z)-8-hydroxy-8-methylhexahydroindolizin-6(5H)-ylidene)-4,7-dimethyloct-4-en-3-one

(7R,E)-8-((8S,Z)-8-hydroxy-8-methylhexahydroindolizin-6(5H)-ylidene)-4,7-dimethyloct-4-en-3-one

C19H31NO2 (305.2355)


   

(8S,Z)-6-((R,4E,6E)-8-hydroxy-2,5-dimethylocta-4,6-dien-1-ylidene)-8-methyloctahydroindolizin-8-ol

(8S,Z)-6-((R,4E,6E)-8-hydroxy-2,5-dimethylocta-4,6-dien-1-ylidene)-8-methyloctahydroindolizin-8-ol

C19H31NO2 (305.2355)


   

(7R,8R,E)-6-((R,3E,5E)-2,6-dimethylocta-3,5-dien-1-ylidene)-8-methyloctahydroindolizine-7,8-diol

(7R,8R,E)-6-((R,3E,5E)-2,6-dimethylocta-3,5-dien-1-ylidene)-8-methyloctahydroindolizine-7,8-diol

C19H31NO2 (305.2355)


   

(7R,8R,E)-6-((R,4E,6E)-2,5-dimethylocta-4,6-dien-1-ylidene)-8-methyloctahydroindolizine-7,8-diol

(7R,8R,E)-6-((R,4E,6E)-2,5-dimethylocta-4,6-dien-1-ylidene)-8-methyloctahydroindolizine-7,8-diol

C19H31NO2 (305.2355)


   

Clavepictine B

(9aS)-6S-(deca-1,3E-dienyl)-4S-methyloctahydro-1H-quinolizin-3R-ol

C20H35NO (305.2719)


   

(S)-N,N-DIMETHYLPIPERIDINE-3-CARBOXAMIDE

(S)-N,N-DIMETHYLPIPERIDINE-3-CARBOXAMIDE

C20H23N3 (305.1892)


   

Fezolamine

Fezolamine

C20H23N3 (305.1892)


C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent

   

4-N-DODECYLOXYBENZAMIDE

4-N-DODECYLOXYBENZAMIDE

C19H31NO2 (305.2355)


   

8-N-BOC-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-BUTYLAMINE

8-N-BOC-5,6,7,8-TETRAHYDRO-1,8-NAPHTHYRIDIN-2-BUTYLAMINE

C17H27N3O2 (305.2103)


   

3-N-BOC-AMINO-1-[2-AMINO-1-(2-AMINO-PHENYL)-ETHYL]-PYRROLIDINE

3-N-BOC-AMINO-1-[2-AMINO-1-(2-AMINO-PHENYL)-ETHYL]-PYRROLIDINE

C17H27N3O2 (305.2103)


   

4-(tetradecyloxy)anilin

4-(tetradecyloxy)anilin

C20H35NO (305.2719)


   

4-(2,4-Di-tert-pentylphenoxy)butan-1-amine

4-(2,4-Di-tert-pentylphenoxy)butan-1-amine

C20H35NO (305.2719)


   

1-BOC-4-(4-METHYLAMINOBENZYL)PIPERAZINE

1-BOC-4-(4-METHYLAMINOBENZYL)PIPERAZINE

C17H27N3O2 (305.2103)


   

2-(morpholin-4-ylamino)pyridine-5-boronic acid pinacol ester

2-(morpholin-4-ylamino)pyridine-5-boronic acid pinacol ester

C15H24BN3O3 (305.1911)


   

Cianopramine

Cianopramine

C20H23N3 (305.1892)


D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist

   

4-(dihexylamino)benzoic acid

4-(dihexylamino)benzoic acid

C19H31NO2 (305.2355)


   

2-[2-(dimethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate

2-[2-(dimethylamino)ethoxy]ethyl 1-phenylcyclopentane-1-carboxylate

C18H27NO3 (305.1991)


   

4-TERT-BUTOXYCARBONYLAMINO-1-(4-AMINOBENZYL)PIPERIDINE

4-TERT-BUTOXYCARBONYLAMINO-1-(4-AMINOBENZYL)PIPERIDINE

C17H27N3O2 (305.2103)


   

tert-butyl 3-[4-(dimethylamino)phenyl]piperazine-1-carboxylate

tert-butyl 3-[4-(dimethylamino)phenyl]piperazine-1-carboxylate

C17H27N3O2 (305.2103)


   

2-(TETRADECYLOXY)ANILINE

2-(TETRADECYLOXY)ANILINE

C20H35NO (305.2719)


   

2-{4-[3-(dimethylamino)propoxy]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-{4-[3-(dimethylamino)propoxy]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C17H28BNO3 (305.2162)


   

(r)-(+)-n-(tert-butoxycarbonyl)-o-

(r)-(+)-n-(tert-butoxycarbonyl)-o-

C14H31NO4Si (305.2022)


   

4-Cyano-4-nonylbiphenyl

4-Cyano-4-nonylbiphenyl

C22H27N (305.2143)


   

(R)-tert-butyl 3-(aminomethyl)-4-benzylpiperazine-1-carboxylate

(R)-tert-butyl 3-(aminomethyl)-4-benzylpiperazine-1-carboxylate

C17H27N3O2 (305.2103)


   

5-dodecyl-2-hydroxybenzaldehyde oxime

5-dodecyl-2-hydroxybenzaldehyde oxime

C19H31NO2 (305.2355)


   

tert-butyl 4-(2-amino-1-phenylethyl)piperazine-1-carboxylate

tert-butyl 4-(2-amino-1-phenylethyl)piperazine-1-carboxylate

C17H27N3O2 (305.2103)


   
   
   

tert-butyl 4-(2-hydroxyethyl)-4-phenylpiperidine-1-carboxylate

tert-butyl 4-(2-hydroxyethyl)-4-phenylpiperidine-1-carboxylate

C18H27NO3 (305.1991)


   

Terbinafine Impurity 5

Terbinafine Impurity 5

C22H27N (305.2143)


   

2,3,4,5-Tetrahydro-2-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indole

2,3,4,5-Tetrahydro-2-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indole

C20H23N3 (305.1892)


   

2-(2-Methyl-benzyloxyMethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

2-(2-Methyl-benzyloxyMethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

C18H27NO3 (305.1991)


   

1-(2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidine

1-(2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)pyrrolidine

C17H25BFNO2 (305.1962)


   

dioctyldimethylammonium chloride

dioctyldimethylammonium chloride

C18H40ClN (305.2849)


   

octadecylamine hydrochloride

octadecylamine hydrochloride

C18H40ClN (305.2849)


   

Droxypropine

Droxypropine

C18H27NO3 (305.1991)


R - Respiratory system > R05 - Cough and cold preparations > R05D - Cough suppressants, excl. combinations with expectorants C78273 - Agent Affecting Respiratory System > C66917 - Antitussive Agent C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

   

Farnesylthiotriazole

Farnesylthiotriazole

C17H27N3S (305.1926)


   

(2R,3R,11bR)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-2,9-diol

(2R,3R,11bR)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizine-2,9-diol

C18H27NO3 (305.1991)


   

17beta-Nitro-5alpha-androstane

17beta-Nitro-5alpha-androstane

C19H31NO2 (305.2355)


   

Zucapsaicin

(Z)-Capsaicin

C18H27NO3 (305.1991)


M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AB - Capsaicin and similar agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

   

N-(2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-butano-N-(4-methylphenyl)hydrazide

N-(2S,3R)-3-Amino-4-cyclohexyl-2-hydroxy-butano-N-(4-methylphenyl)hydrazide

C17H27N3O2 (305.2103)


   

(1R)-2-Methyl-1-(phenylmethyl)propyl[(1S)-1-formylpentyl]carbamate

(1R)-2-Methyl-1-(phenylmethyl)propyl[(1S)-1-formylpentyl]carbamate

C18H27NO3 (305.1991)


   

Axsain

(6E)-N-{[4-hydroxy-3-(methyloxy)phenyl]methyl}-8-methylnon-6-enamide

C18H27NO3 (305.1991)


M - Musculo-skeletal system > M02 - Topical products for joint and muscular pain > M02A - Topical products for joint and muscular pain > M02AB - Capsaicin and similar agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents N - Nervous system > N01 - Anesthetics > N01B - Anesthetics, local D003879 - Dermatologic Agents > D000982 - Antipruritics Capsaicin ((E)-Capsaicin), an active component of chili peppers, is a TRPV1 agonist. Capsaicin has pain relief, antioxidant, anti-inflammatory, neuroprotection and anti-cancer effects[1][2]. Capsaicin ((E)-Capsaicin), an active component of chili peppers, is a TRPV1 agonist. Capsaicin has pain relief, antioxidant, anti-inflammatory, neuroprotection and anti-cancer effects[1][2]. Capsaicinoid is a mixture of Capsaicin and Dihydrocapsaicin. Capsaicinoid is an capsaicin receptor (TRPV1) agonist[1][2]. Capsaicinoid is a mixture of Capsaicin and Dihydrocapsaicin. Capsaicinoid is an capsaicin receptor (TRPV1) agonist[1][2].

   

di-homo-gamma-linolenate

icosa-8,11,14-trienoic acid

C20H33O2 (305.248)


Di-homo-gamma-linolenate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Di-homo-gamma-linolenate can be found in a number of food items such as shiitake, boysenberry, jute, and cocoa bean, which makes di-homo-gamma-linolenate a potential biomarker for the consumption of these food products. Di-homo-γ-linolenate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Di-homo-γ-linolenate can be found in a number of food items such as shiitake, boysenberry, jute, and cocoa bean, which makes di-homo-γ-linolenate a potential biomarker for the consumption of these food products.

   

(8Z,11Z,14Z)-Icosatrienoate

(8Z,11Z,14Z)-Icosatrienoate

C20H33O2- (305.248)


   

(5Z,11Z,14Z)-icosatrienoate

(5Z,11Z,14Z)-icosatrienoate

C20H33O2- (305.248)


An icosatrienoate that is the conjugate base of (5Z,11Z,14Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(11Z,14Z,17Z)-icosatrienoate

(11Z,14Z,17Z)-icosatrienoate

C20H33O2- (305.248)


A polyunsaturated fatty acid anion that is the conjugate base of (11Z,14Z,17Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

di-homo-gamma-linolenate

di-homo-gamma-linolenate

C20H33O2- (305.248)


   

N-decyl-N-(2-pyridinyl)oxamide

N-decyl-N-(2-pyridinyl)oxamide

C17H27N3O2 (305.2103)


   

Dihomo-gamma-Linolenamide

Dihomo-gamma-Linolenamide

C20H35NO (305.2719)


   

(5Z,8Z,11Z)-Icosatrienoate

(5Z,8Z,11Z)-Icosatrienoate

C20H33O2- (305.248)


A polyunsaturated fatty acid anion that is the conjugate base of (5Z,8Z,11Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.

   

(11Z,14Z,17Z)-eicosatrienamide

(11Z,14Z,17Z)-eicosatrienamide

C20H35NO (305.2719)


   

Hexadecane-1-sulfonate

Hexadecane-1-sulfonate

C16H33O3S- (305.215)


   

1-(1-Benzylpiperidin-4-yl)-3-tert-butylthiourea

1-(1-Benzylpiperidin-4-yl)-3-tert-butylthiourea

C17H27N3S (305.1926)


   

(1S,5R)-6-(cyclopropylmethyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane

(1S,5R)-6-(cyclopropylmethyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane

C20H23N3 (305.1892)


   

(1R,5S)-6-(cyclopropylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

(1R,5S)-6-(cyclopropylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane

C20H23N3 (305.1892)


   

(1R,5S)-7-[4-[(E)-prop-1-enyl]phenyl]-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane

(1R,5S)-7-[4-[(E)-prop-1-enyl]phenyl]-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane

C20H23N3 (305.1892)


   

(1S,5R)-7-[4-[(E)-prop-1-enyl]phenyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane

(1S,5R)-7-[4-[(E)-prop-1-enyl]phenyl]-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptane

C20H23N3 (305.1892)


   

2,8-Dimethyl-5-(2-(4-pyridyl)ethyl)-1,2,3,4-tetrahydro-gamma-carboline

2,8-Dimethyl-5-(2-(4-pyridyl)ethyl)-1,2,3,4-tetrahydro-gamma-carboline

C20H23N3 (305.1892)


   

icosatrienoate

icosatrienoate

C20H33O2 (305.248)


An unsaturated fatty acid anion that is the conjugate base of icosatrienoic acid arising from deprotonation of the carboxy group. Major species at pH 7.3.

   

all-cis-icosa-8,11,14-trienoate

all-cis-icosa-8,11,14-trienoate

C20H33O2 (305.248)


An unsaturated fatty acid anion that is the conjugate base of all-cis-icosa-8,11,14-trienoic acid arising from deprotonation of the carboxy group.

   
   
   

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

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

C18H27NO3 (305.1991)


   

15-methyl-14-oxo-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-yl acetate

15-methyl-14-oxo-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-yl acetate

C18H27NO3 (305.1991)


   

n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enimidic acid

n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enimidic acid

C18H27NO3 (305.1991)


   

(8s,9as,13as)-8-hydroxy-12-methoxy-4,11-dimethyl-1h,2h,3h,5h,6h,8h,9h,9ah,10h-indeno[3,3a-e]azonin-13-one

(8s,9as,13as)-8-hydroxy-12-methoxy-4,11-dimethyl-1h,2h,3h,5h,6h,8h,9h,9ah,10h-indeno[3,3a-e]azonin-13-one

C18H27NO3 (305.1991)


   

(2s,3r,6s)-6-[(1e,3e,5e)-deca-1,3,5-trien-1-yl]-1,2-dimethylpiperidin-3-yl acetate

(2s,3r,6s)-6-[(1e,3e,5e)-deca-1,3,5-trien-1-yl]-1,2-dimethylpiperidin-3-yl acetate

C19H31NO2 (305.2355)


   

1-[2-methyl-3-(tridec-5-en-1-yl)-4,5-dihydropyrrol-1-yl]ethanone

1-[2-methyl-3-(tridec-5-en-1-yl)-4,5-dihydropyrrol-1-yl]ethanone

C20H35NO (305.2719)


   

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate

8-methyl-8-azabicyclo[3.2.1]octan-3-yl 4-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate

C18H27NO3 (305.1991)


   

(1s,4s,8r,9r,10r,12r)-9-hexyl-10-propyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodecan-6-imine

(1s,4s,8r,9r,10r,12r)-9-hexyl-10-propyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodecan-6-imine

C19H35N3 (305.2831)


   

8-hydroxy-12-methoxy-4,11-dimethyl-1h,2h,3h,5h,6h,8h,9h,9ah,10h-indeno[3,3a-e]azonin-13-one

8-hydroxy-12-methoxy-4,11-dimethyl-1h,2h,3h,5h,6h,8h,9h,9ah,10h-indeno[3,3a-e]azonin-13-one

C18H27NO3 (305.1991)


   

10-ethyl-9-(heptan-2-yl)-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodecan-6-imine

10-ethyl-9-(heptan-2-yl)-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodecan-6-imine

C19H35N3 (305.2831)


   

(6e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enimidic acid

(6e)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enimidic acid

C18H27NO3 (305.1991)


   

(1r,4r)-4-(3,4-dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]cyclohex-2-en-1-ol

(1r,4r)-4-(3,4-dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]cyclohex-2-en-1-ol

C18H27NO3 (305.1991)


   

9-hexyl-10-propyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodecan-6-imine

9-hexyl-10-propyl-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodecan-6-imine

C19H35N3 (305.2831)


   

6-(7-hydroxy-3-methylocta-2,5-dien-1-yl)-3-methyl-5-propylpyridine-2,4-diol

6-(7-hydroxy-3-methylocta-2,5-dien-1-yl)-3-methyl-5-propylpyridine-2,4-diol

C18H27NO3 (305.1991)


   

(1r,2s,4as,8as)-2-hydroxy-n-(3-methylbutyl)-2-propyl-4a,5,8,8a-tetrahydro-1h-naphthalene-1-carboximidic acid

(1r,2s,4as,8as)-2-hydroxy-n-(3-methylbutyl)-2-propyl-4a,5,8,8a-tetrahydro-1h-naphthalene-1-carboximidic acid

C19H31NO2 (305.2355)


   

(1s,15r,16r,21s)-4,14,20-triazahexacyclo[13.6.2.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁶,²¹]tricosa-2,4,6,8,10-pentaene

(1s,15r,16r,21s)-4,14,20-triazahexacyclo[13.6.2.0²,¹⁴.0³,¹¹.0⁵,¹⁰.0¹⁶,²¹]tricosa-2,4,6,8,10-pentaene

C20H23N3 (305.1892)


   

11-hydroxy-15-methyl-6-azapentacyclo[8.6.0.0¹,⁶.0²,¹³.0⁴,¹⁰]hexadecan-8-yl acetate

11-hydroxy-15-methyl-6-azapentacyclo[8.6.0.0¹,⁶.0²,¹³.0⁴,¹⁰]hexadecan-8-yl acetate

C18H27NO3 (305.1991)


   

2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.0²,¹⁴.0³,¹¹.0⁶,¹⁰]nonadecan-8-ol

2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.0²,¹⁴.0³,¹¹.0⁶,¹⁰]nonadecan-8-ol

C19H31NO2 (305.2355)


   

3-ethyl-2-(2-hydroxyethyl)-10-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-9-ol

3-ethyl-2-(2-hydroxyethyl)-10-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-9-ol

C18H27NO3 (305.1991)


   

(1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (1s,4r,5r)-4-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate

(1r,3r,5s)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (1s,4r,5r)-4-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carboxylate

C18H27NO3 (305.1991)


   

(2r,3r,11bs)-3-ethyl-2-(2-hydroxyethyl)-9-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-10-ol

(2r,3r,11bs)-3-ethyl-2-(2-hydroxyethyl)-9-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-10-ol

C18H27NO3 (305.1991)


   

icosa-2,4,6-trienimidic acid

icosa-2,4,6-trienimidic acid

C20H35NO (305.2719)


   

5-(13-methyltetradecyl)-1h-pyrrole-2-carbaldehyde

5-(13-methyltetradecyl)-1h-pyrrole-2-carbaldehyde

C20H35NO (305.2719)


   

4-(3,4-dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]cyclohex-2-en-1-ol

4-(3,4-dimethoxyphenyl)-4-[2-(dimethylamino)ethyl]cyclohex-2-en-1-ol

C18H27NO3 (305.1991)


   

3-ethyl-2-(2-hydroxyethyl)-9-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-10-ol

3-ethyl-2-(2-hydroxyethyl)-9-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-10-ol

C18H27NO3 (305.1991)


   

2-hydroxy-n-(3-methylbutyl)-2-propyl-4a,5,8,8a-tetrahydro-1h-naphthalene-1-carboximidic acid

2-hydroxy-n-(3-methylbutyl)-2-propyl-4a,5,8,8a-tetrahydro-1h-naphthalene-1-carboximidic acid

C19H31NO2 (305.2355)


   

(1s,4s,8r,9r,10r,12r)-10-ethyl-9-[(2s)-heptan-2-yl]-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodecan-6-imine

(1s,4s,8r,9r,10r,12r)-10-ethyl-9-[(2s)-heptan-2-yl]-5,7-diazatricyclo[6.3.1.0⁴,¹²]dodecan-6-imine

C19H35N3 (305.2831)


   

(6z)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enimidic acid

(6z)-n-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enimidic acid

C18H27NO3 (305.1991)


   

mycalenitrile-25

mycalenitrile-25

C20H35NO (305.2719)


   

6-(deca-1,3-dien-1-yl)-4-methyl-octahydro-1h-quinolizin-3-ol

6-(deca-1,3-dien-1-yl)-4-methyl-octahydro-1h-quinolizin-3-ol

C20H35NO (305.2719)


   

(2r,3r,11bs)-3-ethyl-2-(2-hydroxyethyl)-10-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-9-ol

(2r,3r,11bs)-3-ethyl-2-(2-hydroxyethyl)-10-methoxy-1h,2h,3h,4h,6h,7h,11bh-pyrido[2,1-a]isoquinolin-9-ol

C18H27NO3 (305.1991)


   

1-{2-methyl-3-[(5z)-tridec-5-en-1-yl]-4,5-dihydropyrrol-1-yl}ethanone

1-{2-methyl-3-[(5z)-tridec-5-en-1-yl]-4,5-dihydropyrrol-1-yl}ethanone

C20H35NO (305.2719)


   

(1r,2r,10s,11r,13s,15s)-15-methyl-14-oxo-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-yl acetate

(1r,2r,10s,11r,13s,15s)-15-methyl-14-oxo-6-azatetracyclo[8.6.0.0¹,⁶.0²,¹³]hexadecan-11-yl acetate

C18H27NO3 (305.1991)


   

6-[(2e,5e,7s)-7-hydroxy-3-methylocta-2,5-dien-1-yl]-3-methyl-5-propylpyridine-2,4-diol

6-[(2e,5e,7s)-7-hydroxy-3-methylocta-2,5-dien-1-yl]-3-methyl-5-propylpyridine-2,4-diol

C18H27NO3 (305.1991)