Exact Mass: 391.23586080000007
Exact Mass Matches: 391.23586080000007
Found 395 metabolites which its exact mass value is equals to given mass value 391.23586080000007
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Heteratisine
C22H33NO5 (391.23586080000007)
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
NCIOpen2_009385
C26H33NO2 (391.25111580000004)
Diethylcarbamazine Citrate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent D004791 - Enzyme Inhibitors > D016859 - Lipoxygenase Inhibitors
N-Stearoyltaurine
C20H41NO4S (391.2756146000001)
N-Stearoyltaurine, also known as N-octadecanoyltaurine, belongs to the class of organic compounds known as N-acyl amines. N-Acyl amines are compounds containing a fatty acid moiety linked to an amine group through an ester linkage. Thus, N-stearoyltaurine is considered to be a fatty amide lipid molecule. N-Stearoyltaurine is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. Specifically, N-stearoyltaurine belongs to the N-acyl taurines (NATs) fatty acid amide class. NATs with chains ranging in length from C16 to C24 have been identified in mice brain, liver, and kidney tissues. NATs were found to be regulated by the integral membrane enzyme fatty acid amide hydrolase (FAAH) and activated calcium channels from the transient receptor potential (TRP) family such as TRPV1 and TRPV4 (PMID: 16866345).
N-Arachidonoyl Serine
C23H37NO4 (391.27224420000005)
N-arachidonoyl serine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is an Arachidonic acid amide of Serine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Arachidonoyl Serine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Arachidonoyl Serine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
N-Myristoyl Tyrosine
C23H37NO4 (391.27224420000005)
N-myristoyl tyrosine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is a Myristic acid amide of Tyrosine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Myristoyl Tyrosine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Myristoyl Tyrosine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
N-(4-Hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
C26H33NO2 (391.25111580000004)
17-(3-Pyridyl)-5,16-androstadien-3beta-acetate
C26H33NO2 (391.25111580000004)
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors D000970 - Antineoplastic Agents
3-O-Demethylfortimicin A
Biriperone
1-[4-[2-[2-(4-Fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
3-((4-(2-Methoxyphenyl)piperazin-1-yl)methyl)-2,3-dihydroimidazo(1,2-c)quinazolin-5(6H)-one
2-[(3S,8R,9S,10R,13S,14S)-10,13-Dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl]acetic acid
C26H33NO2 (391.25111580000004)
sphingosine phosphate
3-[2-(1,1-dimethyl-allyl)-5-(3-methyl-but-2-enyl)-indol-3-ylmethylene]-6-methyl-piperazine-2,5-dione|Isoechulin A
3-[2-(1,1-dimethyl-allyl)-6-(3-methyl-but-2-enyl)-indol-3-ylmethylene]-6-methyl-piperazine-2,5-dione|Cycloalanyl-2alpha,alpha-dimethylallyl-6gamma,gamma-dimethylallyldehydrotryptophyl
(6E)-6-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,3,5-trione
daphnoldine B|methyl (8aRS,9RS,10aRS,11RS)-2,3,4,5,6,7,8,8a,9,10-decahydro-11-(hydroxymethyl)-11-(3-hydroxypentyl)-2-methyl-1H-4,10a-methanopentaleno[1,6-cd]azonine-9-carboxylate
C23H37NO4 (391.27224420000005)
(17R,E)-2-hydroxy-4,6-dimethoxy-17-acetoxy-cyclopentadeca-1,3-diene[1,2-b]pyridine|patungensin
C22H33NO5 (391.23586080000007)
karasamine
C23H37NO4 (391.27224420000005)
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid
(7E,9aS,11S,13S,13aS)-4-formyl-2,3,4,5,6,8,9,9a,10,11,12,13-dodecahydro-11-methyl-8-oxo-1H-indeno[1,7a-c]azonine-11,13-diyl diacetate|N-formyllycoposerramine-T
C21H29NO6 (391.19947740000003)
8-butyl-10-[(Z)-[(5Z)-3-methoxy-5-pyrrol-2-ylidenepyrrol-2-ylidene]methyl]-11-azabicyclo[7.2.1]dodeca-1(12),9-diene
C25H33N3O (391.26234880000004)
2-{4-[3-(4-hydroxy-3,5-dimethoxy-phenyl)-acryloyl]-piperazin-1-yl}-N-isopropyl-acetamide|N-Isopropyl-2-<4-(4-hydroxy-3,5-dimethoxycinnamoyl)-1-piperazinyl>-acetamid
C20H29N3O5 (391.21071040000004)
N-(4-hydroxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenamide
C26H33NO2 (391.25111580000004)
Rizatriptan benzoate
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist Rizatriptan benzoate (Maxalt) is a 5-HT1 agonist.
C22H33NO5_6,6,9a-Trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetylvalinate
C22H33NO5 (391.23586080000007)
C22H33NO5_D-Valine, N-acetyl-, (5aS,9S,9aS)-1,3,4,5,5a,6,7,8,9,9a-decahydro-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl ester
C22H33NO5 (391.23586080000007)
C22H25N5O2_3-(1H-Imidazol-4-ylmethyl)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione
N-(3-hydroxytetradecanoyl)-L-phenylalanine
C23H37NO4 (391.27224420000005)
Ala Ala Cys Lys
C15H29N5O5S (391.18893040000006)
Ala Ala Lys Cys
C15H29N5O5S (391.18893040000006)
Ala Cys Ala Lys
C15H29N5O5S (391.18893040000006)
Ala Cys Lys Ala
C15H29N5O5S (391.18893040000006)
Ala Lys Ala Cys
C15H29N5O5S (391.18893040000006)
Ala Lys Cys Ala
C15H29N5O5S (391.18893040000006)
Ala Lys Ser Ser
Ala Ser Lys Ser
Ala Ser Ser Lys
Cys Ala Ala Lys
C15H29N5O5S (391.18893040000006)
Cys Ala Lys Ala
C15H29N5O5S (391.18893040000006)
Cys Lys Ala Ala
C15H29N5O5S (391.18893040000006)
Gly Gly Lys Met
C15H29N5O5S (391.18893040000006)
Gly Gly Met Lys
C15H29N5O5S (391.18893040000006)
Gly Lys Gly Met
C15H29N5O5S (391.18893040000006)
Gly Lys Met Gly
C15H29N5O5S (391.18893040000006)
Gly Lys Ser Thr
Gly Lys Thr Ser
Gly Met Gly Lys
C15H29N5O5S (391.18893040000006)
Gly Met Lys Gly
C15H29N5O5S (391.18893040000006)
Gly Ser Lys Thr
Gly Ser Thr Lys
Gly Thr Lys Ser
Gly Thr Ser Lys
Lys Ala Ala Cys
C15H29N5O5S (391.18893040000006)
Lys Ala Cys Ala
C15H29N5O5S (391.18893040000006)
Lys Ala Ser Ser
Lys Cys Ala Ala
C15H29N5O5S (391.18893040000006)
Lys Gly Gly Met
C15H29N5O5S (391.18893040000006)
Lys Gly Met Gly
C15H29N5O5S (391.18893040000006)
Lys Gly Ser Thr
Lys Gly Thr Ser
Lys Met Gly Gly
C15H29N5O5S (391.18893040000006)
Lys Ser Ala Ser
Lys Ser Gly Thr
Lys Ser Ser Ala
Lys Ser Thr Gly
Lys Thr Gly Ser
Lys Thr Ser Gly
Met Gly Gly Lys
C15H29N5O5S (391.18893040000006)
Met Gly Lys Gly
C15H29N5O5S (391.18893040000006)
Met Lys Gly Gly
C15H29N5O5S (391.18893040000006)
Ser Ala Lys Ser
Ser Ala Ser Lys
Ser Gly Lys Thr
Ser Gly Thr Lys
Ser Lys Ala Ser
Ser Lys Gly Thr
Ser Lys Ser Ala
Ser Lys Thr Gly
Ser Ser Ala Lys
Ser Ser Lys Ala
Ser Thr Gly Lys
Ser Thr Lys Gly
Thr Gly Lys Ser
Thr Gly Ser Lys
Thr Lys Gly Ser
Thr Lys Ser Gly
Thr Ser Gly Lys
Thr Ser Lys Gly
Fenretinide
C26H33NO2 (391.25111580000004)
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C804 - Retinoic Acid Agent C308 - Immunotherapeutic Agent > C129820 - Antineoplastic Immunomodulating Agent D020011 - Protective Agents > D000975 - Antioxidants > D002338 - Carotenoids D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D000970 - Antineoplastic Agents
N-Arachidonoyl-L-Serine
C23H37NO4 (391.27224420000005)
An N-acyl-amino acid resulting from the formal condensation of the carboxy group of arachidonic acid with the amino group of L-serine. It is an endocannabinoid-like lipid isolated from bovine brains.
icas#6.1
C21H29NO6 (391.19947740000003)
icas#6.2
C21H29NO6 (391.19947740000003)
1-(TERT-BUTYLDIMETHYLSILYL)-4-CHLORO-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE
1H-Benzimidazole,2-[1-[[1-(2-furanylmethyl)-1H-tetrazol-5-yl]methyl]-4-piperidinyl]-5,6-dimethyl-(9CI)
(+)-UH 232 maleate,cis-(+)-5-Methoxy-1-methyl-2-(di-N-propylamino)tetralinmaleate
C22H33NO5 (391.23586080000007)
1-(1-Boc-4-piperidyl)-3-methylpyrazole-4-boronic Acid Pinacol Ester
C20H34BN3O4 (391.26422340000005)
(R,R)-N-Benzyl-3,4-trans-(N-Boc)-diaminopyrrolidine
C21H33N3O4 (391.2470938000001)
Binodenoson
D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058913 - Purinergic Agonists C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent Binodenoson (MRE-0470) is a potent and selective A2A adenosine receptor agonist (KD=270 nM). Binodenoson is being developed as a short-acting coronary vasodilator as an adjunct to radiotracers for use in myocardial stress imaging[1]. Binodenoson (MRE-0470) is a potent and selective A2A adenosine receptor agonist (KD=270 nM). Binodenoson is being developed as a short-acting coronary vasodilator as an adjunct to radiotracers for use in myocardial stress imaging[1].
[4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
1H-Indole-1-carboxylic acid, 2-borono-6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, 1-(1,1-dimethylethyl) ester (9CI)
1H-Indole-1-carboxylic acid, 2-borono-5-[[[dimethyl(1-methylethyl)silyl]oxy]methyl]-, 1-(1,1-dimethylethyl) ester (9CI)
1H-Benzimidazole,2-[1-[[1-[(4-fluorophenyl)methyl]-1H-tetrazol-5-yl]methyl]-4-piperidinyl]-(9CI)
4-Amino-N-((2R,3S)-3-amino-2-hydroxy-4-phenylbutyl)-N-isobutylbenzenesulfonamide
C20H29N3O3S (391.1929524000001)
TETRA-N-BUTYLAMMONIUM TRIFLUOROMETHANESULFONATE
C17H36F3NO3S (391.2367862000001)
2-Borono-5-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1H-indole-1-carboxylic acid 1-(1,1-dimethylethyl) ester
N-acetylphenylalanylarginine ethyl ester
C19H29N5O4 (391.22194340000004)
Abiraterone acetate
C26H33NO2 (391.25111580000004)
A sterol ester obtained by formal condensation of the 3-hydroxy group of abiraterone with the carboxy group of acetic acid. A prodrug that is converted in vivo to abiraterone. Used for treatment of metastatic castrate-resistant prostate cancer. D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D065088 - Steroid Synthesis Inhibitors C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C242 - Anti-Androgen D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors C471 - Enzyme Inhibitor > C147923 - CYP17A1 Inhibitor D000970 - Antineoplastic Agents
N-(2-CYANO-ETHYL)-N-PYRIDIN-3-YLMETHYL-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
C22H26BN3O3 (391.20671160000006)
Daporinad
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor
1-[4-[2-[2-(4-Fluorophenyl)ethoxy]ethoxy]phenoxy]-3-(propan-2-ylamino)propan-2-ol
N^2^-[(2R)-2-{(1S)-1-[Formyl(hydroxy)amino]ethyl}-5-phenylpentanoyl]-N,3-dimethyl-L-valinamide
C21H33N3O4 (391.2470938000001)
17-[(Benzylamino)methyl]estra-1,3,5(10)-triene-3,17beta-diol
C26H33NO2 (391.25111580000004)
tert-Butyl 4-((4-(1H-indol-4-yl)piperazin-1-yl)methyl)benzoate
3-Cyclohexyl-D-Alanyl-N-(3-Chlorobenzyl)-L-Prolinamide
(3R,6S,6aS,8S,9R,10S,11aS,12S)-1-ethyl-8,10-dimethoxy-3-methyltetradecahydro-1H-3,6a,12-(epiethane[1,1,2]triyl)-7,9-methanonaphtho[2,3-b]azocine-6,11a-diol
C23H37NO4 (391.27224420000005)
Hyodeoxycholate
A bile acid anion that is the conjugate base of hyodeoxycholic acid.
Murideoxycholate
A bile acid anion that is the conjugate base of murideoxycholic acid.
3beta,12alpha-Dihydroxy-5beta-cholan-24-oate
A bile acid anion that is the conjugate base of 3beta,12alpha-dihydroxy-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group. The 3beta-hydroxy epimer of deoxycholate. It is the major microspecies at pH 7.3.
3beta,7alpha-Dihydroxy-5beta-cholan-24-oate
A bile acid anion that is the conjugate base of 3beta,7alpha-dihydroxy-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group. The 3beta-hydroxy epimer of chenodeoxycholate. It is the major microspecies at pH 7.3.
(6S)-5-[3-Methoxy-5-(1H-pyrrole-2-yl)-2H-pyrrole-2-ylidenemethyl]-6-butyl-2,4-heptano-1H-pyrrole
C25H33N3O (391.26234880000004)
(R)-2-Ethyl-13-[[3-methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene]methyl]-12-azabicyclo[9.2.1]tetradeca-11(14),13(1)-diene
C25H33N3O (391.26234880000004)
20-Hydroxy-prefusarin (open ring form)
C22H33NO5 (391.23586080000007)
(E)-3beta,14beta,21-trihydroxy-23-nor-5-beta-chol-20(22)-enate
3-amino-3-[(E)-1-hydroxyhexadec-2-enyl]-1-oxo-2,5,6-trioxa-1lambda5-phosphabicyclo[2.1.1]hexan-4-ol
Isoursodeoxycholate
A steroid acid anion that is the conjugate base of isoursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Leu-Pro-Tyr
C20H29N3O5 (391.21071040000004)
A tripeptide composed of L-leucine, L-proline and L-tyrosine joined in sequence by peptide linkages.
Talathermophilins A
A natural product found in Talaromyces thermophilus and Talaromyces thermophilus.
2-(4-methoxyphenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinolinecarboxamide
1-Ethyl-2-methyl-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]benzimidazole-5-carboxamide
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15,19-hexaenoate
1-Hexadecanoyl-sn-glycero-2,3-cyclic phosphate
C19H36O6P- (391.22493860000003)
1-(3-Carboxypropyl)-9-(dimethylamino)-11,11-dimethyl-2,3,4,11-tetrahydronaphtho[2,3-g]quinolinium
C25H31N2O2+ (391.23854059999996)
(2S,3S,4R)-2-(hydroxymethyl)-4-[[(2-methoxy-1-oxoethyl)-propan-2-ylamino]methyl]-3-phenyl-N-propan-2-yl-1-azetidinecarboxamide
C21H33N3O4 (391.2470938000001)
N-cyclobutyl-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)carbamoylamino]oxan-2-yl]acetamide
C20H29N3O5 (391.21071040000004)
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
2-[(2S,3R,6S)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)carbamoylamino]oxan-2-yl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
C20H29N3O5 (391.21071040000004)
N-[(5R,6R,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
N-[(5S,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
2-[(2R,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
2-[(2R,3R,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
C20H29N3O5 (391.21071040000004)
N-[(5R,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
N-[(4R,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
N-[(4S,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
N-[(4S,7R,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
2-[(2S,3R,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
2-[(2S,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
C20H29N3O5 (391.21071040000004)
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
2-[(1S,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
2-[(1S,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
N-[[(2S,3R,4R)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
N-[[(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(3-pyridinylmethyl)-2-azetidinyl]methyl]acetamide
N-[[(2S,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-ethyl-3-pyridinecarboxamide
(2S,3R,4S)-2-(hydroxymethyl)-4-[[(2-methoxy-1-oxoethyl)-propan-2-ylamino]methyl]-3-phenyl-N-propan-2-yl-1-azetidinecarboxamide
C21H33N3O4 (391.2470938000001)
N-[[(2S,3R,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-ethyl-4-pyridinecarboxamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(3-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-propylacetamide
C20H29N3O5 (391.21071040000004)
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-[oxo(2-pyridinyl)methyl]-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-propylacetamide
C20H29N3O5 (391.21071040000004)
cyclobutyl-[(2S,3S)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
cyclobutyl-[(2R,3R)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
2-cyclopropyl-1-[(2S,3R)-2-(hydroxymethyl)-6-[oxo(pyridin-4-yl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
N-[(5R,6S,9R)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
N-[(5S,6S,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
N-[(5S,6R,9S)-5-methoxy-3,6,9-trimethyl-2-oxo-11-oxa-3,8-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
N-[(4S,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
N-[(4S,7R,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
N-[(4R,7S,8S)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
N-[(4R,7S,8R)-8-methoxy-4,7,10-trimethyl-11-oxo-2-oxa-5,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-14-yl]butanamide
C21H33N3O4 (391.2470938000001)
2-[(2R,3S,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
2-[(2S,3S,6R)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
2-[(2R,3R,6S)-3-[[2-(dimethylamino)-1-oxoethyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-[(2-methoxyphenyl)methyl]acetamide
C20H29N3O5 (391.21071040000004)
N-cyclobutyl-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[(4-methoxyanilino)-oxomethyl]amino]-2-oxanyl]acetamide
C20H29N3O5 (391.21071040000004)
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[[4-oxanyl(oxo)methyl]amino]ethyl]-3-oxanyl]-4-pyridinecarboxamide
C20H29N3O5 (391.21071040000004)
2-[(1R,3R,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
2-[(1R,3S,4aR,9aS)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
2-[(1S,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
2-[(1R,3R,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
2-[(1R,3S,4aS,9aR)-6-[[2-(dimethylamino)-1-oxoethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C20H29N3O5 (391.21071040000004)
N-[[(2R,3S,4S)-1-acetyl-3-[4-(3-cyanophenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-methylacetamide
N-[[(2R,3S,4S)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-1-(3-pyridinylmethyl)-2-azetidinyl]methyl]acetamide
N-[[(2R,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-ethyl-3-pyridinecarboxamide
N-[[(2S,3R,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-ethyl-3-pyridinecarboxamide
(2R,3R,4S)-2-(hydroxymethyl)-4-[[(2-methoxy-1-oxoethyl)-propan-2-ylamino]methyl]-3-phenyl-N-propan-2-yl-1-azetidinecarboxamide
C21H33N3O4 (391.2470938000001)
(2R,3S,4R)-2-(hydroxymethyl)-4-[[(2-methoxy-1-oxoethyl)-propan-2-ylamino]methyl]-3-phenyl-N-propan-2-yl-1-azetidinecarboxamide
C21H33N3O4 (391.2470938000001)
N-[[(2R,3S,4R)-3-[4-(1-cyclopentenyl)phenyl]-4-(hydroxymethyl)-2-azetidinyl]methyl]-N-ethyl-4-pyridinecarboxamide
[(2S,3S)-3-phenyl-1-(3-pyridinylmethyl)-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
[(2S,3R)-3-phenyl-1-(3-pyridinylmethyl)-6-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
cyclobutyl-[(2S,3R)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
cyclobutyl-[(2R,3S)-2-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-6-yl]methanone
[(1R)-7-methoxy-1-(phenylmethyl)-1-spiro[1,2,3,9-tetrahydropyrido[3,4-b]indole-4,4-piperidine]yl]methanol
2-cyclopropyl-1-[(2S,3S)-2-(hydroxymethyl)-6-[oxo(pyridin-4-yl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
2-cyclopropyl-1-[(2R,3R)-2-(hydroxymethyl)-6-[oxo(pyridin-4-yl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
2-cyclopropyl-1-[(2R,3S)-2-(hydroxymethyl)-6-[oxo(pyridin-4-yl)methyl]-3-phenyl-1,6-diazaspiro[3.3]heptan-1-yl]ethanone
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
C21H33N3O4 (391.2470938000001)
2-[Hydroxy(2-naphthyl)methyl]-N-(3-methoxyphenyl)-N-methylhexanamide
(3S,6E)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
(3S,6E)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
1-Methyl-5-[2-[methyl(1-phenylpropan-2-yl)amino]ethyl]-2-phenyl-4-propan-2-ylpyrazol-3-one
C25H33N3O (391.26234880000004)
(1S,2S,6S,9S,11R,14R,17S,18S,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one
C22H33NO5 (391.23586080000007)
(1S,2S,6S,9S,11R,14R,17S,19S)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.12,6.01,11.03,9.014,18]icosan-4-one
C22H33NO5 (391.23586080000007)
N-Acetylvalylphenylalanylalanine methyl ester
C20H29N3O5 (391.21071040000004)
N-Stearoyltaurine
C20H41NO4S (391.2756146000001)
A fatty acid-taurine conjugate derived from stearic acid.
ursodeoxycholate
A bile acid anion that is the conjugate base of ursodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Allodeoxycholate
A bile acid anion that is the conjugate base of allodeoxycholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate
A docosanoid anion that is the conjugate base of (4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoate
A docosanoid anion that is the conjugate base of (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
ATTO 610-2(1+)
C25H31N2O2 (391.23854059999996)
The cationic form of a fluorescent dye derived from a tetrahydronaphtho[2,3-g]quinoline.
Chenodeoxycholate
Conjugate base of chenodeoxycholic acid; major species at pH 7.3.
SPHP(20:1)
C20H42NO4P (391.2851302000001)
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BI 99179
BI 99179 is a potent and selective type I fatty acid synthase (FAS) inhibitor with an IC50 of 79 nM. BI 99179 is a tool compound suitable for the in vivo validation of FAS as a target for lipid metabolism related diseases. BI 99179 exhibits significant exposure (both peripheral and central) upon oral administration in rats[1][2].
RAS inhibitor Abd-7
RAS inhibitor Abd-7, a potent RAS-binding compound (Kd=51 nM), is a RAS-effector protein-protein interaction (PPI) inhibitor. RAS inhibitor Abd-7 interacts with RAS inside the cells, prevents RAS-effector interactions and inhibits endogenous RAS-dependent signaling. RAS inhibitor Abd-7 impairs the PPI of various mutant KRAS proteins with PI3K, CRAF and RALGDS as well as NRAS Q61H and HRAS G12V[1].
(1s,2r,3r,4s,5r,8s,9s,16s,17r)-11-ethyl-4,6-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-8,16-diol
C23H37NO4 (391.27224420000005)
(17r)-2-hydroxy-4,6-dimethoxy-7h,8h,9h,10h,11h,12h,13h,14h,15h,16h,17h-cyclopentadeca[b]pyridin-17-yl acetate
C22H33NO5 (391.23586080000007)
(1s,2r,3r,4s,5s,6s,8s,9s,10r,13s,16s,17r)-6,16-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-ene-4,8-diol
C22H33NO5 (391.23586080000007)
5-hydroxy-6-methyl-3-{[7-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-1,6-dihydropyrazin-2-one
n-(2-{4-[(3,7-dimethyl-5-oxoocta-3,6-dien-1-yl)oxy]phenyl}ethyl)benzenecarboximidic acid
(1r,3r)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-1,2,3-trimethyl-3,4-dihydro-1h-isoquinolin-8-ol
(1s,2r,3s,6r,9s,10r,11r,14r,17s,18r,19s)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-4-one
C22H33NO5 (391.23586080000007)
8-ethyl-13,15-dimethoxy-5-oxa-8-azaheptacyclo[8.7.2.1¹⁴,¹⁷.0¹,⁹.0⁴,⁶.0⁶,¹⁸.0¹¹,¹⁶]icosane-2,11-diol
C22H33NO5 (391.23586080000007)
(3r)-3-hydroxy-2-({hydroxy[(2s,3s)-3-hydroxy-2-methyl-2-(4-methylpent-3-en-1-yl)-3,4-dihydro-1-benzopyran-6-yl]methylidene}amino)butanoic acid
C21H29NO6 (391.19947740000003)
(2r)-2-ethyl-13-{[(5e)-4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene]methyl}-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
C25H33N3O (391.26234880000004)
(2s)-2-ethyl-13-{[(5e)-4-methoxy-1'h-[2,2'-bipyrrol]-5-ylidene]methyl}-12-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
C25H33N3O (391.26234880000004)