Exact Mass: 229.14853100000002
Exact Mass Matches: 229.14853100000002
Found 457 metabolites which its exact mass value is equals to given mass value 229.14853100000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Terbuthylazine
C9H16ClN5 (229.10941660000003)
CONFIDENCE standard compound; INTERNAL_ID 991; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9075; ORIGINAL_PRECURSOR_SCAN_NO 9073 CONFIDENCE standard compound; INTERNAL_ID 991; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9016; ORIGINAL_PRECURSOR_SCAN_NO 9014 CONFIDENCE standard compound; INTERNAL_ID 991; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9020; ORIGINAL_PRECURSOR_SCAN_NO 9018 CONFIDENCE standard compound; INTERNAL_ID 991; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9092; ORIGINAL_PRECURSOR_SCAN_NO 9087 CONFIDENCE standard compound; INTERNAL_ID 991; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9043; ORIGINAL_PRECURSOR_SCAN_NO 9041 CONFIDENCE standard compound; INTERNAL_ID 991; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9038; ORIGINAL_PRECURSOR_SCAN_NO 9037 CONFIDENCE standard compound; INTERNAL_ID 3676 CONFIDENCE standard compound; INTERNAL_ID 8413 CONFIDENCE standard compound; INTERNAL_ID 4032 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Propazine
C9H16ClN5 (229.10941660000003)
CONFIDENCE standard compound; INTERNAL_ID 842; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8960; ORIGINAL_PRECURSOR_SCAN_NO 8958 INTERNAL_ID 842; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8960; ORIGINAL_PRECURSOR_SCAN_NO 8958 CONFIDENCE standard compound; INTERNAL_ID 842; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9098; ORIGINAL_PRECURSOR_SCAN_NO 9096 CONFIDENCE standard compound; INTERNAL_ID 842; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8923; ORIGINAL_PRECURSOR_SCAN_NO 8922 CONFIDENCE standard compound; INTERNAL_ID 842; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8943; ORIGINAL_PRECURSOR_SCAN_NO 8941 CONFIDENCE standard compound; INTERNAL_ID 842; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9124; ORIGINAL_PRECURSOR_SCAN_NO 9123 CONFIDENCE standard compound; INTERNAL_ID 842; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8882; ORIGINAL_PRECURSOR_SCAN_NO 8880 CONFIDENCE standard compound; EAWAG_UCHEM_ID 2741 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Pronetalol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist Pronethalol ((±)-Pronethalo) is a non-selective β-adrenergic antagonist. Pronethalol is a potent inhibitor of Sox2 expression. Pronethalol protects against and to reverse Digitalis-induced ventricular arrhythmias and limits the cerebral arteriovenous malformation (AVMs)[1][2].
Chlortriazine
C9H16ClN5 (229.10941660000003)
2,4-Undecadiene-8,10-diynoic acid isobutylamide
2,4-Undecadiene-8,10-diynoic acid isobutylamide is found in herbs and spices. 2,4-Undecadiene-8,10-diynoic acid isobutylamide is isolated from Achillea millefolium (yarrow). Isolated from Achillea millefolium (yarrow). 2,4-Undecadiene-8,10-diynoic acid isobutylamide is found in herbs and spices.
Neopellitorine A
Neopellitorine A is found in herbs and spices. Neopellitorine A is an alkaloid from Artemisia dracunculus (tarragon). Alkaloid from Artemisia dracunculus (tarragon). Neopellitorine A is found in herbs and spices.
2,4,6,8-Decatetraenoic acid dehydropiperidide
2,4,6,8-Decatetraenoic acid dehydropiperidide is found in herbs and spices. 2,4,6,8-Decatetraenoic acid dehydropiperidide is an alkaloid from Achillea millefolium (yarrow). Alkaloid from Achillea millefolium (yarrow). 2,4,6,8-Decatetraenoic acid dehydropiperidide is found in herbs and spices.
Prolyl-Asparagine
Prolyl-Asparagine is a dipeptide composed of proline and asparagine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Butenylcarnitine
Butenylcarnitine is an acylcarnitine. More specifically, it is an butenoic 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. Butenylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine Butenylcarnitine 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 Butenylcarnitine is elevated in the blood or plasma of individuals with maternal obesity/prepregnant obesity of mothers (PMID: 31975597). 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]. A human metabolite taken as a putative food compound of mammalian origin [HMDB]
N-Decanoylglycine
N-Decanoylglycine is an acylglycine with C-10 fatty acid group as the acyl moiety. Acylglycines 1 possess a common amidoacetic acid moiety and are normally minor metabolites of fatty acids. Elevated levels of certain acylglycines appear in the urine and blood of patients with various fatty acid oxidation disorders. They are normally produced through the action of glycine N-acyltransferase which is an enzyme that catalyzes the chemical reaction: acyl-CoA + glycine ↔ CoA + N-acylglycine. N-Decanoylglycine is an acylglycine with C-10 fatty acid group as the acyl moiety.
Asparaginyl-Proline
Asparaginyl-Proline is a dipeptide composed of asparagine and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
N1,N8-Diacetylspermidine
N1,n8-diacetylspermidine belongs to the family of Dialkylamines. These are organic compounds containing a dialkylamine group.
3-Butenylcarnitine
3-Butenylcarnitine is an acylcarnitine. More specifically, it is an but-3-enoic 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-Butenylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-Butenylcarnitine 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-Butenylcarnitine is elevated in the blood or plasma of individuals with maternal obesity/prepregnant obesity of mothers (PMID: 31975597). 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].
2,4-Bis(2-methoxyethoxy)-1,3,5-triazine
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
(E)-6-Methyl-1-(2-methyl-1-oxo-2-butenyl)-1,2,3,4-tetrahydroquinoline
1-methyl-2-pentylquinolin-4-one
1-Methyl-2-pentyl-4(1H)-quinolinone, a quinolone alkaloid isolated from the fruits of Evodia Rutaecarpa, possesses antibacterial and cytotoxic activities for cancer cells[1].
Axisonitrile 4
Sebuthylazine
C9H16ClN5 (229.10941660000003)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 670
Methfuroxam
CONFIDENCE standard compound; INTERNAL_ID 1185; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8765; ORIGINAL_PRECURSOR_SCAN_NO 8763 CONFIDENCE standard compound; INTERNAL_ID 1185; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8759; ORIGINAL_PRECURSOR_SCAN_NO 8757 CONFIDENCE standard compound; INTERNAL_ID 1185; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8772; ORIGINAL_PRECURSOR_SCAN_NO 8770 CONFIDENCE standard compound; INTERNAL_ID 1185; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8796; ORIGINAL_PRECURSOR_SCAN_NO 8794 CONFIDENCE standard compound; INTERNAL_ID 1185; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8823; ORIGINAL_PRECURSOR_SCAN_NO 8821 CONFIDENCE standard compound; INTERNAL_ID 1185; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8803; ORIGINAL_PRECURSOR_SCAN_NO 8801
Icaridin
CONFIDENCE standard compound; INTERNAL_ID 459; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8791; ORIGINAL_PRECURSOR_SCAN_NO 8789 CONFIDENCE standard compound; INTERNAL_ID 459; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8820; ORIGINAL_PRECURSOR_SCAN_NO 8819 CONFIDENCE standard compound; INTERNAL_ID 459; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8831; ORIGINAL_PRECURSOR_SCAN_NO 8829 CONFIDENCE standard compound; INTERNAL_ID 459; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8867; ORIGINAL_PRECURSOR_SCAN_NO 8865 CONFIDENCE standard compound; INTERNAL_ID 459; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8878; ORIGINAL_PRECURSOR_SCAN_NO 8876 CONFIDENCE standard compound; INTERNAL_ID 459; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8886; ORIGINAL_PRECURSOR_SCAN_NO 8885 CONFIDENCE standard compound; INTERNAL_ID 2872 CONFIDENCE standard compound; INTERNAL_ID 8825 CONFIDENCE standard compound; INTERNAL_ID 8229 CONFIDENCE standard compound; INTERNAL_ID 4207
ROLICYCLIDINE
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic
2,8-Decadiene-4,6-diynoic acid-2-Methypropylamide, N-Me
4-(7-methyl-1,2,3,5,8,8a-hexahydroindolizin-6-yl)phenol
(3Z)-6-methoxy-3-(3-methylbut-2-en-1-ylidene)-1,3-dihydro-2H-indol-2-one|E-3-(3-methyl-2-butenylidene)-6-methoxy-2-indolinone|soulieotine
2-(1-Ethylpropyl)-4-methoxyquinoline, 9CI|4-methoxy-2-(3-pentyl)quinoline
6-oxo-hexa-2E,4E-dien-1-oic acid-N-phenylethylamide
2,3,3-trimethyl-2,3,4,5-tetrahydrofurano<3,2-c>quinolin-4-one|2,3,3-trimethyl-2,3,4,5-tetrahydrofurano[3,2-c]quinolin-4-one|N-Demethyloligophyline
(+/-)-threo-N-isobutyl-4,5-dihydroxy-2E-octaenamide|(??)-threo-N-Isobutyl-4,5-dihydroxy-2E-octaenamide
1r-Aethoxycarbonyl-2t-aethyl-1t-cyan-2c-phenyl-aethylen|2-Cyan-3-phenyl-pent-2t-ensaeure-aethylester|2-cyano-3-phenyl-pent-2t-enoic acid ethyl ester|2t-Cyan-3c-phenyl-pent-2-ensaeure-aethylester|beta-Aethyl-alpha-cyan-cis-zimtsaeure-aethylester|ethyl 2-cyano-3-phenylpent-2-enoate|Ethyl-1-phenylpropylidencyanoacetat
(S)-2-(1-(2-Aminoacetyl)pyrrolidine-2-carboxamido)acetic acid
Terbutylazine
C9H16ClN5 (229.10941660000003)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 284 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Asn-pro
A dipeptide composed of L-asparagine and L-proline joined by a peptide linkage.
Pro-asn
A dipeptide formed from L-proline and L-asparagine residues.
2,4,6,8-Decatetraenoic acid dehydropiperidide
2,4-Undecadiene-8,10-diynoic acid isobutylamide
tert-butyl-dimethyl-(piperidin-2-ylmethoxy)silane
C12H27NOSi (229.18618119999996)
[4-(2,5-DIMETHYL-1H-PYRROL-1-YL)PHENYL]-ACETIC ACID
6-methyl-2,3,4,9-tetrahydro-1h-carbazole-1-carboxylic acid
(1H-INDOL-6-YL)(PIPERAZIN-1-YL)METHANONE
C13H15N3O (229.12150599999998)
2-PHENYL-5-(PIPERIDIN-4-YL)-1,3,4-OXADIAZOLE
C13H15N3O (229.12150599999998)
(S)-tert-Butyl 2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
1H-indol-2-yl(piperazin-1-yl)methanone
C13H15N3O (229.12150599999998)
N-ethyl-1-(4-methoxyphenyl)propan-2-amine,hydrochloride
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
(4S)-N-(tert-Butyldimethylsilyl)azetidin-2-one-4-carboxylic acid
3-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid
tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
(S)-5-(((tert-Butyldimethylsilyl)oxy)methyl)pyrrolidin-2-one
5-(((TERT-BUTYLDIMETHYLSILYL)OXY)METHYL)PYRROLIDIN-2-ONE
1-(4-Methoxy-phenyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
2-HYDRAZINOCARBONYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-(1-Phenyl-ethyl)-1H-pyrrole-3-carboxylic acid Methyl ester
(R)-TERT-BUTYL 3-CARBAMOYLPIPERAZINE-1-CARBOXYLATE
(S)-TERT-BUTYL 3-CARBAMOYLPIPERAZINE-1-CARBOXYLATE
1-(2-METHOXY-PHENYL)-PROP-2-YN-1-OL
C13H24ClN (229.15971739999998)
1-(3-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLICACIDMETHYLESTER
C13H24ClN (229.15971739999998)
(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)BORONIC ACID
C10H20BNO4 (229.14853100000002)
2-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)PHENOL
C13H15N3O (229.12150599999998)
7-Desmethylagomelatine
7-Desmethyl-agomelatine is a metabolite of Agomelatine. Agomelatineis a potent agonist at melatonin receptors (MT1 and MT2), and also is an antagonist of 5-HT2C[1][2].
3-AMINO-3-(4-METHYL-NAPHTHALEN-1-YL)-PROPIONIC ACID
4-(diethylamino)quinazoline-6-carbaldehyde
C13H15N3O (229.12150599999998)
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
2,5-DIMETHYL-4-METHYLCARBAMOYL-1-PHENYLIMIDAZOLE
C13H15N3O (229.12150599999998)
METHYL 2-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLATE
(S)-2-(1-Hydroxy-1-methylethyl)-pyrrolidine-1-carboxylicacidtert-butylester
N-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]methanamine
C13H15N3O (229.12150599999998)
1-(4-CHLORO-1,2,5-THIADIAZOL-3-YL)-4-METHYLPIPERAZINE
tert-butyl 4-formyl-4-hydroxypiperidine-1-carboxylate
1H-Benzimidazole,1-methyl-2-(1-piperidinylmethyl)-(9CI)
3,5,7-Trimethyladamantan-1-amine hydrochloride
C13H24ClN (229.15971739999998)
Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
(R)-TERT-BUTYL 2-(2-OXOETHYL)MORPHOLINE-4-CARBOXYLATE
7,7,9,9-tetramethyl-1,4-dioxa-8-azaspiro[4.5]decane-2-methanol
N-methyl-1-[4-(6-methylpyrazin-2-yl)oxyphenyl]methanamine
C13H15N3O (229.12150599999998)
(2S)-1-(TERT-BUTOXYCARBONYL)-5-METHYLPYRROLIDINE-2-CARBOXYLIC ACID
3-((tert-Butoxycarbonyl)amino)-3-cyclopropylpropanoic acid
5-(hydroxymethyl)-1-(2-phenylethyl)pyrrole-2-carbaldehyde
3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile
3-Oxo-3-(4-phenyl-1-piperazinyl)propanenitrile
C13H15N3O (229.12150599999998)
(R)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-METHYLPENT-4-ENOIC ACID
2-(1-(TERT-BUTOXYCARBONYL)PYRROLIDIN-2-YL)ACETIC ACID
TERT-BUTYL 4-AMINO-4-(AMINOMETHYL)PIPERIDINE-1-CARBOXYLATE
(S)-3-(FMOC-AMINO)-5-METHYLHEXANOIC ACID, FMOC-L-SS-HOMOLEUCINE
C13H15N3O (229.12150599999998)
2,6-DIMETHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
(s)-(-)-3-tert-butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine
2-[(6-METHYL-2-PHENYL-4-PYRIMIDINYL)AMINO]-ETHANOL
C13H15N3O (229.12150599999998)
(1S,2R)-Boc-2-amino-1-cyclopentane carboxylic acid
cis-2-(tert-Butoxycarbonylamino)-1-cyclopentanecarboxylic acid
(1R,3S)-N-Boc-1-Aminocyclopentane-3-carboxylic acid
tert-butyl 3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
tert-butyl 4-(methoxymethyl)piperidine-1-carboxylate
(trans-4-Hydroxymethylcyclohexyl)carbamic acid tert-butyl ester
tert-Butyl cis-(3-hydroxymethyl)-cyclohexylcarbamate
tert-butyl 4-(1-hydroxyethyl)piperidine-1-carboxylate
(4-FORMYL-PHENYL)-CARBAMICACIDTERT-BUTYLESTER
C13H15N3O (229.12150599999998)
1-[3-AMINO-4-(4-METHYL-4H-PYRAZIN-1-YL)-PHENYL]-ETHANONE
C13H15N3O (229.12150599999998)
(R)-2-(1-(tert-Butoxycarbonyl)pyrrolidin-2-yl)acetic acid
carbamicacid,(4-hydroxy-1-methylcyclohexyl)-,1,1-dimethylethylester
2-CHLORO-N-(2,3,3-TRIMETHYL-BICYCLO[2.2.1]HEPT-2-YL)-ACETAMIDE
(4-(1-Amino-2-methylpropan-2-yl)phenyl)boronic acid hydrochloride
C10H17BClNO2 (229.10408020000003)
Boc-L-Cyclobutylglycine
Boc-L-cyclobutylglycine is a glycine derivative that can be used for PI3K inhibitor synthesis[1].
N,N-dimethyl 1-benzyl-1H-imidazole-5-carboxamide
C13H15N3O (229.12150599999998)
4-ethoxy-2-methyl-5-propan-2-ylaniline,hydrochloride
PYRROLIDINE-1,2-DICARBOXYLICACID1-TERT-BUTYLESTER2-METHYLESTER
(S)-1-BOC-PYRROLIDINE-3-CARBOXYLIC ACID METHYL ESTER
(S)-Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
(R)-Methyl 2-((tert-butoxycarbonyl)amino)pent-4-enoate
(2S,5R)-N-BOC-5-METHYLPYRROLIDINE-2-CARBOXYLICACID
BENZYL 2-AZABICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLATE
tert-butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
Methyl cis-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclobuta necarboxylate
4-[(1-methyl-4(1h)-pyridinylidene)ethylidene]-2,5-cyclohexadien-1-one hydrate
1-BENZYL-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
2-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOHYDRAZIDE
C13H15N3O (229.12150599999998)
tert-butyl cis-(4-hydroxymethyl)cyclohexylcarbamate
4-(1H-PYRROLO[2,3-B]PYRIDIN-3-YLCARBONYL)PIPERIDINE
C13H15N3O (229.12150599999998)
Ethyl 5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylate
(S)-2-Benzyl-5-(pyrrolidin-2-yl)-1,3,4-oxadiazole
C13H15N3O (229.12150599999998)
6-Benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one
C13H15N3O (229.12150599999998)
methyl-2-(tert-butoxycarbonylamino)-2-cyclopropylacetate
Ethyl 3-hydroxy-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
(R)-5-(((tert-Butyldimethylsilyl)oxy)methyl)pyrrolidin-2-one
3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine
C13H15N3O (229.12150599999998)
(1R,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
(2-Hydroxyethyl)trimethylammonium dimethylphosphate
(1S,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
(1R,3R)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
2-TERT-BUTOXYCARBONYLAMINO-CYCLOPENTANECARBOXYLIC ACID
TERT-BUTYL 4-FORMYL-2,2-DIMETHYLOXAZOLIDINE-3-CARBOXYLATE
3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
tert-butyl N-(4,4-dimethyl-1-oxopentan-3-yl)carbamate
tert-butyl-dimethyl-(piperidin-4-ylmethoxy)silane
C12H27NOSi (229.18618119999996)
1-BUTYL-1-METHYLPYRROLIDINIUM TETRAFLUOROBORATE
C9H20BF4N (229.16248380000002)
(2S,5S)-N-BOC-5-METHYLPYRROLIDINE-2-CARBOXYLICACID
3-tert-Butyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
(1H-INDOL-3-YL)(PIPERAZIN-1-YL) METHANONE
C13H15N3O (229.12150599999998)
2-imidazol-1-yl-4-methyl-6-pyrrolidin-2-ylpyrimidine
ethyl 1-((tert-butoxycarbonyl)amino)cyclopropanecarboxylate
3-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine
C13H15N3O (229.12150599999998)
(2R)-1-(tert-butyldimethylsilyl)-4-oxoazetidine-2-carboxylic acid
(S)-TERT-BUTYL 2-(2-OXOETHYL)MORPHOLINE-4-CARBOXYLATE
2,7-DIMETHYLQUINOLINE-3-CARBOXYLIC ACID ETHYL ESTER
Pyrrolidine, 1-[3-(4-ethylphenyl)-1-oxo-2-propenyl]- (9CI)
4-O-tert-butyl 2-O-methyl (2R,4S)-pyrrolidine-2,4-dicarboxylate
tert-Butyl 2-(N-hydroxycarbamimidoyl)pyrrolidine-1-carboxylate
5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL ISOCYANATE
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
[4-(1H-benzimidazol-2-yl)cyclohexyl]methylamine dihydrochloride
tert-Butyl 4-(2-aminoethyl)piperazine-1-carboxylate
1-PHENYL-3-(PYRROLIDIN-1-YL)-1H-PYRAZOL-5(4H)-ONE
C13H15N3O (229.12150599999998)
N-(2-ETHOXYPHENYL)-N-(4-ETHYLPHENYL)-ETHLYENEDIAMIDE
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
ethyl 2-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylate
5,5,7,7-Tetramethyl-1,5,6,7-tetrahydrocyclopenta[f]indazol-4-amine, TECH
1-Piperidinecarbothioamide,4-(4-morpholinyl)-
C10H19N3OS (229.12487639999998)
3-Methoxy-4-oxo-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
3-(2-METHYL-1H-INDOL-3-YL)-ACRYLIC ACID ETHYL ESTER
Thyronamine
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones
(E)-6-Methyl-1-(2-methyl-1-oxo-2-butenyl)-1,2,3,4-tetrahydroquinoline
N-(4,6,7-trimethylquinazolin-2-yl)guanidine
A2B receptor antagonist 2 (compound 18) is an adenosine receptor A2B antagonist, with Ki values of 2.30 μM, 6.8 μM and 3.44 μM for rA1, rA2A and hA2B, respectively[1].
(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
[(2S)-1-[(2S)-2-carboxypyrrolidin-1-yl]-1-oxopropan-2-yl]-trimethylazanium
6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
C13H15N3O (229.12150599999998)
(R)-crotonylcarnitine
A O-butenoyl-L-carnitine in which the acyl group is specified as crotonyl.
6-Phenylspiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1-cyclopentane]
[6-Methoxy-2,3,4,9-tetrahydro-carbazol-(1E)-ylidene]-hydrazine
C13H15N3O (229.12150599999998)
N-(4-methylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide
Cyclohexane, 1-acetamido-4-trimethylsilyloxy-, trans-
Terbuthylazine
C9H16ClN5 (229.10941660000003)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
propazine
C9H16ClN5 (229.10941660000003)
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Pronetalol
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist Pronethalol ((±)-Pronethalo) is a non-selective β-adrenergic antagonist. Pronethalol is a potent inhibitor of Sox2 expression. Pronethalol protects against and to reverse Digitalis-induced ventricular arrhythmias and limits the cerebral arteriovenous malformation (AVMs)[1][2].
O-butenoylcarnitine
An O-acyl carnitine in which the acyl group specified is butenoyl.
O-butenoyl-L-carnitine
An O-acyl-L-carnitine in which the acyl group specified is butenoyl in which the position of the double bond is unspecified.
(2e,4e)-6-oxo-n-(2-phenylethyl)hexa-2,4-dienimidic acid
(2e,4e)-n-(2-methylpropyl)undeca-2,4-dien-8,10-diynimidic acid
n-{4-[n-carbamimidoyl-(c-hydroxycarbonimidoyl)amino]butyl}-n-methylacetamide
(1r,2r,3r)-3-hydroxy-1,2-dimethyl-1,2,3,9-tetrahydrocarbazol-4-one
(2s,3s,4s)-4-chloro-2-[(3z,5e)-hepta-3,5-dien-1-yl]piperidin-3-ol
(2e,8e)-n-methyl-n-(2-methylpropyl)deca-2,8-dien-4,6-diynamide
7-(4-hydroxy-3-methylbut-2-en-1-yl)-1h-indole-3-carbaldehyde
(3e)-6-methoxy-3-(3-methylbut-2-en-1-ylidene)indol-2-ol
3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl propanoate
2-methyl-1-methylidene-4,9-dihydro-3h-carbazole-2,3-diol
atractylenolactam
{"Ingredient_id": "HBIN017282","Ingredient_name": "atractylenolactam","Alias": "NA","Ingredient_formula": "C15H19NO","Ingredient_Smile": "CC1=C2CC3C(=C)CCCC3(C=C2NC1=O)C","Ingredient_weight": "229.32","OB_score": "NA","CAS_id": "193757-67-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6502","PubChem_id": "101707484","DrugBank_id": "NA"}