Exact Mass: 190.0801
Exact Mass Matches: 190.0801
Found 500 metabolites which its exact mass value is equals to given mass value 190.0801,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Diaminopimelic acid
Diaminopimelic acid or DAPA is a lysine-like amino acid derivative that is a key component of the bacterial cell wall. DAPA is incorporated or integrated into peptidoglycan of gram negative bacteria and is the attachment point for Brauns lipoprotein (BLP or Murein Lipoprotein). BLP is found in gram-negative cell walls and is one of the most abundant membrane proteins. BLP is bound at its C-terminal end (a lysine) by a covalent bond to the peptidoglycan layer (specifically to diaminopimelic acid molecules) and is embedded in the outer membrane by its hydrophobic head (a cysteine with lipids attached). BLP tightly links the two layers and provides structural integrity to the bacterial outer membrane. Diaminopimelic acid can be found in human urine or feces due to the lysis or enzymatic breakdown of gram negative gut microbes. Acquisition and generation of the data is financially supported in part by CREST/JST. 2,6-Diaminoheptanedioic acid is an endogenous metabolite.
Temik
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
3-Hydroxysuberic acid
3-Hydroxysuberic acid is a metabolite derived from the w-oxidation of 3-hydroxy fatty acids and the subsequent beta-oxidation of longer-chain 3-hydroxy dicarboxylic acids (PMID 2001377). It has been found increased in ketoaciduria (PMID 1591279) [HMDB] 3-Hydroxysuberic acid is a metabolite derived from the w-oxidation of 3-hydroxy fatty acids and the subsequent beta-oxidation of longer-chain 3-hydroxy dicarboxylic acids (PMID 2001377). It has been found increased in ketoaciduria (PMID 1591279).
Alanylthreonine
Alanylthreonine is a dipeptide composed of alanine and threonine. 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.
Diethyl L-malate
Diethyl L-malate is found in alcoholic beverages. Diethyl L-malate is a flavouring agent. Diethyl L-malate is present in guava fruit, papaya, kiwifruit, raspberry, chicory and various wines and spirits. Ethyl malate is a biomarker for the consumption of beer It is used as a food additive
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid is isolated from sugarbee
6-Hydroxy-1H-indole-3-acetamide
6-Hydroxy-1H-indole-3-acetamide is found in mushrooms. 6-Hydroxy-1H-indole-3-acetamide is an alkaloid from the edible mushroom Agrocybe cylindrace
N-(gamma-Glutamyl)ethanolamine
N-(gamma-Glutamyl)ethanolamine is found in mushrooms. N-(gamma-Glutamyl)ethanolamine is a constituent of the fruiting body of Agaricus bisporus (button mushroom). Constituent of the fruiting body of Agaricus bisporus (button mushroom). N-(gamma-Glutamyl)ethanolamine is found in mushrooms.
Threonylalanine
Threonylalanine is a dipeptide composed of threonine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Ethyl 4-(acetylthio)butyrate
Ethyl 4-(acetylthio)butyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
6-(2-Hydroxyethoxy)-6-oxohexanoic acid
6-(2-Hydroxyethoxy)-6-oxohexanoic acid belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
(2R,6S)-2,6-Diaminoheptanedioic acid
Meso-diaminopimelate, also known as diaminopimelic acid or dpm, is a member of the class of compounds known as alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). Meso-diaminopimelate is soluble (in water) and a moderately acidic compound (based on its pKa). Meso-diaminopimelate can be found in a number of food items such as italian sweet red pepper, sweet basil, horseradish, and hickory nut, which makes meso-diaminopimelate a potential biomarker for the consumption of these food products. Meso-diaminopimelate is a characteristic of certain cell walls of some bacteria. Meso-diaminopimelate is often found in the peptide linkages of NAM-NAG chains that make up the cell wall of gram-negative bacteria. When provided, they exhibit normal growth. When in deficiency, they still grow but with the inability to make new cell wall proteoglycan . 2,6-Diaminoheptanedioic acid is an endogenous metabolite.
Dihydralazine
C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DB - Hydrazinophthalazine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
1-(4,4-DIPHENYL-3-BUTENYL)-3-PIPERIDINECARBOXYLICACIDHYDROCHLORIDE
3-acetyl-5-carbomethoxy-2H-3,4,5,6-tetrahydro-1,2,3,5,6-oxatetrazine
3-hydroxy-2-isopropyl-4-methoxy-4-oxobutanoic acid
A succinic acid monoester having an isopropyl substituent at the 2-position and a hydroxy substituent at the 3-position.
2-amino-4-(2-amino-3-hydroxypropoxy)but-3-enoic acid
3-Acetyl-5-carbomethoxy-2H-3,4,5,6-tetrahydro-1-oxa-2,3,5,6-tetrazine
(+-)-3-(3-Carboxy-phenyl)-L-alanin|(+/-)-3-cyanophenylalanine|3-(3-cyanophenyl)-alanine|3-(3-Cyanophenyl)-D,L-alanin|3-Cyanphenylalanin|H-d/l-Phe(3-CN)-OH|H-DL-Phe(3-CN)-OH
2,2-Dimethyl-tetrahydro-[1,3]dioxolo[4,5-c]pyran-6,7-diol
DL-2,6-Diaminopimelic acid
2,6-Diaminoheptanedioic acid is an endogenous metabolite.
2-[(1S)-1-hydroxyethyl]-1H-quinazolin-4-one
3-HYDROXYSUBERIC ACID
A dicarboxylic acid that is suberic acid substituted at position 3 by a hydroxy group.
Diaminopimelic acid
2,6-Diaminoheptanedioic acid is an endogenous metabolite.
2,6-Diaminopimelic acid
The amino dicarboxylic acid that is heptanedioic acid with amino substituents at C-2 and C-6. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; GMKMEZVLHJARHF-UHFFFAOYSA-N_STSL_0247_26-diaminopimelic_acid_4000fmol_190413_S2_LC02MS02_053; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. MS2 deconvoluted using CorrDec from all ion fragmentation data, MetaboLights identifier MTBLS1040; Spectrum acquired as described in Naz et al 2017 PMID 28641411. Preparation and submission to MassBank of North America by Chaleckis R. and Tada I. 2,6-Diaminoheptanedioic acid is an endogenous metabolite.
3-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
dihydralazine
C - Cardiovascular system > C02 - Antihypertensives > C02D - Arteriolar smooth muscle, agents acting on > C02DB - Hydrazinophthalazine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
Pyrido[2,3-b]pyrazin-3(4H)-one, 4-methyl-2-methylamino- (6CI)
7-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
1,2-DIMETHYL-1H-BENZO[D]IMIDAZOLE-5-CARBOXYLIC ACID
1-METHYL-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE
Methyl 1-methyl-1H-benzo[d]imidazole-5-carboxylate
Carbamic acid,N,N-methylenebis-, C,C-diethyl ester
1,3-DIMETHYL-2-OXO-2,3-DIHYDRO-1H-BENZIMIDAZOLE-5-CARBALDEHYDE
1H-Benzimidazole-2-carboxylicacid,4-methyl-,methylester(9CI)
8-fluoro-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole
1H-Benzimidazole-4-carboxylicacid,2-methyl-,methylester(9CI)
2-PHENYL-4,5-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLIC ACID
5-Methoxy-1-methyl-1H-benzo[d]imidazole-2-carbaldehyde
Acetamide, 2-cyano-N-[(5-methylpyrazinyl)methyl]- (9CI)
1H-Pyrrolo[3,2-c]pyridine-6-carboxylic acid, ethyl ester
METHYL 1-METHYL-1H-BENZO[D]IMIDAZOLE-2-CARBOXYLATE
2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-ONE OXIME HYDROCHLORIDE
Methyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
(3S-CIS)-(+)-2,3-DIHYDRO-3-ISOPROPYL-7A-METHYLPYRROLO[2,1-B]OXAZOL-5(7AH)-ONE
N-METHYL-1-(6-(TRIFLUOROMETHYL)PYRIDIN-3-YL)METHANAMINE
3-(DIMETHYLAMINO)-2-(FURAN-2-CARBONYL)ACRYLONITRILE
Ethyl esterpyrazolo[1,5-a]pyridine-2-carboxylic acid
Procodazole
COVID info from PDB, Protein Data Bank C308 - Immunotherapeutic Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Diethylene glycol diacetate
An acetate ester that is the diacetate obtained by the formal condensation of the two hydroxy groups of diethylene glycol with two molecules of acetic acid respectively.
1-hydroxy-3-oxo-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
2H-Indazole-3-carboxylic acid,2-methyl-, methyl ester
1-(4-Methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
Methyl 1-Methyl-1H-pyrrolo[2,3-b]pyridin-2-carboxylate
1H-Indene-2-carboxylic acid,2,3-dihydro-1-oxo-,hydrazide
[2-(4-fluoro-phenyl)-ethyl]-hydrazine hydrochloride
2-Ethyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
Methyl 6-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
(1R,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol,hydrochloride
Methyl 6-methyl-3H-pyrrolo[2,3-b]pyridine-5-carboxylate
Methyl 1-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
Methyl 1-methyl-1H-pyrrolo[2,3-b]pyridine-4-carboxylate
1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, ethyl ester
1-Ethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
3,6-Dimethylimidazo[1,2-a]pyridine-2-carboxylic acid
N-Methyl-1-[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]methanamine
2-(3-(PYRIDIN-3-YL)-1,2,4-OXADIAZOL-5-YL)ETHANAMINE
N-METHYL-1-(6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)METHANAMINE
4-tert-butyl 3-methyl thiomorpholine-3,4-dicarboxylate 1,1-dioxide
6-Methyl-1H-benzoimidazole-2-carboxylic acid methyl ester
1H-Indole-2-carboxylicacid,4-amino-,methylester(9CI)
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(4-nitrophenyl)methanone
2,8-Dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
acetic acid,(3S,4S)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one
5-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
N-METHYL-2-(TRIFLUOROMETHYL)-4-PYRIDINEMETHANAMINE
1H-Benzimidazole-2-carboxylicacid,1-methyl-,hydrazide(9CI)
4-METHYL-3,4-DIHYDRO-1H-BENZO[E][1,4]DIAZEPINE-2,5-DIONE
7-methoxy-2-methyl-imidazo[1,2-a]pyridine-3-carbaldehyde
2,7-Dimethylimidazo[1,2-a]pyridine-3-carboxylic acid
(3R,4R)-3-Amino-1-hydroxy-4-Methyl-2-pyrrolidinone Acetate
5-Benzimidazolecarboxylicacid,6-methyl-,methylester(8CI)
Lysine Nz-Carboxylic Acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
aldicarb
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals
3-Methyl-6-prop-2-enoxy-[1,2,4]triazolo[4,3-b]pyridazine
L,L-Diaminopimelate
Diaminopimelic acid, also known as ll-2,6-diaminopimelate or ll-2,6-diaminoheptanedioic acid, is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. Thus, diaminopimelic acid is considered to be a fatty acid lipid molecule. Diaminopimelic acid is soluble (in water) and a moderately acidic compound (based on its pKa). Diaminopimelic acid can be found in a number of food items such as quinoa, allium (onion), star anise, and dock, which makes diaminopimelic acid a potential biomarker for the consumption of these food products. Diaminopimelic acid can be found primarily in blood, feces, and urine. Diaminopimelic acid exists in all living species, ranging from bacteria to humans. Diaminopimelic acid is a characteristic of certain cell walls of some bacteria. Diaminopimelic acid is often found in the peptide linkages of NAM-NAG chains that make up the cell wall of gram-negative bacteria. When provided, they exhibit normal growth. When in deficiency, they still grow but with the inability to make new cell wall proteoglycan . 2,6-Diaminoheptanedioic acid is an endogenous metabolite.
Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate
Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate is found in mushrooms. Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate is isolated from Camarophyllus virgineus (snowy waxcap). Isolated from Camarophyllus virgineus (snowy waxcap). Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate is found in mushrooms.
(2S,3S)-2-{[(2S)-2-azaniumylpropanoyl]amino}-3-hydroxybutanoate
(2S,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid
6-Methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
2-hydroxyoctanedioic Acid
A 2-hydroxydicarboxylic acid that is the 2-hydroxy derivative of suberic acid.
Albumycin
A member of the class of isoindoles that is 4,7-dihydro-2H-isoindole substituted by methyl, oxo, methylamino, and oxo groups at positions 1, 4, 5, and 7, respectively. It is produced by heterologous expression of the fluostatin biosynthetic gene cluster from the marine derived Micromonospora rosaria SCSIO N160 in Streptomyces albus J1074.
5-hydroxy-7-prop-2-en-(E)-ylidene-7,7a-dihydro-2H-cyclopenta[b]pyran-6-one
5-hydroxy-7-prop-2-en-(Z)-ylidene-7,7a-dihydro-2H-cyclopenta[b]pyran-6-one
3-N-(pyridin-2-ylmethyl)-1H-1,2,4-triazole-3,5-diamine
6-(Carboxymethoxy)hexanoic acid
A dicarboxylic acid that is hexanoic acid substituted by a carboxymethoxy group at position 6.
(E,2S)-2-amino-4-(2-amino-3-hydroxypropoxy)but-3-enoic acid
meso-2,6-Diaminopimelic acid
The meso-isomer of 2,6-diaminopimelic acid. It is a key constituent of bacterial peptidoglycan and is often found in human urine due to the breakdown of the gut microbes.
(R)-3-[(R)-3-hydroxybutanoyloxy]butanoic acid
A carboxylic ester arising from the formal condensation of the alcoholic hydroxy group of one molecule of (3R)-3-hydroxybutanoic acid with the the carboxylic acid group of another. It is a sex pheromone in the European spider Linyphia triangularis.
N(6)-carboxy-L-lysine
An L-lysine derivative consisting of L-lysine carrying a carboxy substituent at the N(6)-position.
Ala-Thr zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Ala-Thr.
DIETHYL MALATE
A malate ester obtained by the formal condensation of the two carboxy groups of malic acid with two molecules of ethanol respectively.
6-(2-Hydroxyethoxy)-6-oxohexanoic acid
A dicarboxylic acid monoester obtained by the formal condensation of one of the hydroxy groups of ethylene glycol with one of the carboxy groups of adipic acid.
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid
5-hydroxy-7-prop-2-en-(Z)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one
An organic heterobicyclic compound that is 7,7a-dihydrocyclopenta[b]pyran-6(2H)-one substituted by a hydroxy group at position 5 and a prop-2-en-1-ylidene group at position 7 (the Z isomer). Isolated from the sponge Ulosa and ascidian Diplosoma virens, it exhibits antimicrobial activity and toxicity against HCT116 cells (human colorectal cancer cells) by triggering apoptotic cell death.
DD-2,6-diaminopimelic acid
A 2,6-diaminopimelic acid in which both chiral centres have R configuration.
meso-2,6-diaminopimelic acid dizwitterion
Dizwitterionic form of meso-2,6-diaminopimelic acid arising from migration of protons from both carboxy groups to the amino groups; major species at pH 7.3.
LL-2,6-Diaminopimelic acid
A 2,6-diaminopimelic acid in which both chiral centres have S configuration. It is a component of bacterial cell wall.
(2S,6S)-2,6-diaminopimelic acid dizwitterion
A zwitterion that is derived from LL-2,6-diaminopimelic acid by deprotonation of both carboxylic acid groups and protonation of both amino groups.
5-hydroxy-7-prop-2-en-(E)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one
An organic heterobicyclic compound that is 7,7a-dihydrocyclopenta[b]pyran-6(2H)-one substituted by a hydroxy group at position 5 and a prop-2-en-1-ylidene group at position 7 (the E isomer). Isolated from the sponge Ulosa and ascidian Diplosoma virens, it exhibits antimicrobial activity and toxicity against HCT116 cells (human colorectal cancer cells) by triggering apoptotic cell death.
methyl (2z)-7-[(2s,3s)-3-methyloxiran-2-yl]hept-2-en-4,6-diynoate
(4r)-2-hydroxy-3,4-dihydroquinoline-4-carboximidic acid
5-hydroxy-3-(3-methylbut-3-en-1-yn-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
2-amino-4-[(2-hydroxyethyl)-c-hydroxycarbonimidoyl]butanoic acid
3-acetyl-5-carbomethoxy-2h-3,4,5,6-tetrahydro-1-oxa-2,3,5,6-tetrazine
{"Ingredient_id": "HBIN007870","Ingredient_name": "3-acetyl-5-carbomethoxy-2h-3,4,5,6-tetrahydro-1-oxa-2,3,5,6-tetrazine","Alias": "NA","Ingredient_formula": "C5H10N4O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14135","TCMID_id": "345","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
