Exact Mass: 229.1678
Exact Mass Matches: 229.1678
Found 334 metabolites which its exact mass value is equals to given mass value 229.1678,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
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].
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.
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.
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].
(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
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
2-(1-Ethylpropyl)-4-methoxyquinoline, 9CI|4-methoxy-2-(3-pentyl)quinoline
(+/-)-threo-N-isobutyl-4,5-dihydroxy-2E-octaenamide|(??)-threo-N-Isobutyl-4,5-dihydroxy-2E-octaenamide
1-[6-(2-hydroxy-propyl)-1-methyl-[2]piperidyl]-butan-2-ol
2,4,6,8-Decatetraenoic acid dehydropiperidide
2,4-Undecadiene-8,10-diynoic acid isobutylamide
(S)-tert-Butyl 2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
N-ethyl-1-(4-methoxyphenyl)propan-2-amine,hydrochloride
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-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
2-HYDRAZINOCARBONYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(R)-TERT-BUTYL 3-CARBAMOYLPIPERAZINE-1-CARBOXYLATE
(S)-TERT-BUTYL 3-CARBAMOYLPIPERAZINE-1-CARBOXYLATE
1-(3-AMINO-PHENYL)-AZETIDINE-3-CARBOXYLICACIDMETHYLESTER
(1-(TERT-BUTOXYCARBONYL)PIPERIDIN-4-YL)BORONIC ACID
2-(6,7,8,9-TETRAHYDRO-5H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-3-YL)PHENOL
methyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
(S)-2-(1-Hydroxy-1-methylethyl)-pyrrolidine-1-carboxylicacidtert-butylester
N-methyl-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]methanamine
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)
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
(2S)-1-(TERT-BUTOXYCARBONYL)-5-METHYLPYRROLIDINE-2-CARBOXYLIC ACID
3-((tert-Butoxycarbonyl)amino)-3-cyclopropylpropanoic acid
(S)-Methyl 2-(3,3-dimethylbutylamino)-3,3-dimethylbutanoate
3-[(4-methyl-1,4-diazepan-1-yl)methyl]benzonitrile
(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
(s)-(-)-3-tert-butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine
2-[(6-METHYL-2-PHENYL-4-PYRIMIDINYL)AMINO]-ETHANOL
(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
1-[3-AMINO-4-(4-METHYL-4H-PYRAZIN-1-YL)-PHENYL]-ETHANONE
(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
Boc-L-Cyclobutylglycine
Boc-L-cyclobutylglycine is a glycine derivative that can be used for PI3K inhibitor synthesis[1].
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
tert-butyl 4-hydroxy-3,3-dimethylpiperidine-1-carboxylate
Methyl cis-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)cyclobuta necarboxylate
tert-butyl cis-(4-hydroxymethyl)cyclohexylcarbamate
4-(1H-PYRROLO[2,3-B]PYRIDIN-3-YLCARBONYL)PIPERIDINE
6-Benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3(2H)-one
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
(1R,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
(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
tert-butyl N-(4,4-dimethyl-1-oxopentan-3-yl)carbamate
(2S,5S)-N-BOC-5-METHYLPYRROLIDINE-2-CARBOXYLICACID
3-tert-Butyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
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
(S)-TERT-BUTYL 2-(2-OXOETHYL)MORPHOLINE-4-CARBOXYLATE
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
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
3-Methoxy-4-oxo-1-piperidinecarboxylic acid 1,1-dimethylethyl ester
(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
(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
N-(4-methylphenyl)-3-bicyclo[2.2.1]heptanecarboxamide
Cyclohexane, 1-acetamido-4-trimethylsilyloxy-, trans-
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)-n-(2-methylpropyl)undeca-2,4-dien-8,10-diynimidic acid
n-{4-[n-carbamimidoyl-(c-hydroxycarbonimidoyl)amino]butyl}-n-methylacetamide
(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
3,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl propanoate
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"}
