Exact Mass: 190.0906218
Exact Mass Matches: 190.0906218
Found 500 metabolites which its exact mass value is equals to given mass value 190.0906218,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
(S)-3-Butyl-1(3H)-isobenzofuranone
Butylphthalide is a member of benzofurans. Butylphthalide has been used in trials studying the prevention of Restenosis. Butylphthalide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. See also: Celery Seed (part of); Angelica sinensis root oil (part of). Potential nutriceutical. 3-Butyl-1(3H)-isobenzofuranone is found in many foods, some of which are dill, parsley, lovage, and wild celery. C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent D002491 - Central Nervous System Agents > D018696 - Neuroprotective Agents 3-Butyl-1(3H)-isobenzofuranone is found in dill. Potential nutriceutical. D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D020011 - Protective Agents Butylphthalide (3-n-Butylphthalide) is an active molecule against cerebral ischemia. It was originally isolated from celery species and has been shown to be effective in stroke animal models. Butylphthalide (3-n-Butylphthalide) is an active molecule against cerebral ischemia. It was originally isolated from celery species and has been shown to be effective in stroke animal models.
Ligusticide
Ligusticide, also known as ligustilide, (E)-isomer or (Z)-ligustilide, is a member of the class of compounds known as isobenzofurans. Isobenzofurans are organic aromatic compounds containing an isobenzofuran moiety. Ligusticide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Ligusticide can be found in lovage, which makes ligusticide a potential biomarker for the consumption of this food product. (Z)-ligustilide is a butenolide. It has a role as a metabolite. Ligustilide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available.
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.
N(omega)-Hydroxyarginine
N-omega-hydroxy-l-arginine, also known as 6-noha, belongs to arginine and derivatives class of compounds. Those are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-omega-hydroxy-l-arginine is slightly soluble (in water) and a moderately acidic compound (based on its pKa). N-omega-hydroxy-l-arginine can be found in a number of food items such as chinese cinnamon, chervil, sugar apple, and safflower, which makes N-omega-hydroxy-l-arginine a potential biomarker for the consumption of these food products. N(omega)-Hydroxyarginine is a product of the arginine-nitric oxide pathway, and is the first intermediate in the process catalyzed by nitric oxide synthase (NOS) (EC 1.14.13.99). NOS is a heme protein that catalyzes the oxygenation of L-arginine in the presence of NADPH to form nitric oxide and citrulline. N(omega)-Hydroxyarginine appears to interfere with cell proliferation/cell growth by inhibiting arginase, a binuclear Mn(2+) metalloenzyme that catalyzes the hydrolysis of L-arginine to L-ornithine and urea (EC 3.5.3.1). Arginase has 6R-tetrahydrobiopterin (H4B) as an enzyme-bound cofactor (PMID: 11259671, 11258880, 14504282, 9735327).
Propyl cinnamate
Propyl cinnamate is a flavouring ingredient. Flavouring ingredient
L-erythro-4-Hydroxyarginine
L-erythro-4-Hydroxyarginine is found in pulses. L-erythro-4-Hydroxyarginine occurs in the sea-cucumber (Polycheira rufescens) and in lentil seeds (Lens culinaris Occurs in the sea-cucumber (Polycheira rufescens) and in lentil seeds (Lens culinaris). L-erythro-4-Hydroxyarginine is found in pulses.
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
Ligustilide
Constituent of Angelica subspecies Ligustilide is found in wild celery, lovage, and herbs and spices. Ligustilide is found in herbs and spices. Ligustilide is a constituent of Angelica specie
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).
3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone
3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone is found in green vegetables. 3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone is a odorous constituent of celer Odorous constituent of celery. 3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone is found in wild celery and green vegetables.
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
(R)-3,7-Dimethyl-5-indanecarboxylic acid
(R)-3,7-Dimethyl-5-indanecarboxylic acid is a constituent of Curcuma zedoaria (zedoary). Constituent of Curcuma zedoaria (zedoary).
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid is isolated from sugarbee
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.
Benzyl trans-2-methyl-2-butenoate
Benzyl trans-2-methyl-2-butenoate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
1-(4-Methoxyphenyl)-1-penten-3-one
1-(4-Methoxyphenyl)-1-penten-3-one is a flavouring ingredien Flavouring ingredient
(+/-)-Isobutyl 3-methylthiobutyrate
(+/-)-Isobutyl 3-methylthiobutyrate 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 .
3-Mercaptoheptyl acetate
3-Mercaptoheptyl acetate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
(S)-3-Methylthiohexyl acetate
(S)-3-Methylthiohexyl acetate is found in fruits. Identified in volatile oil of Passiflora edulis. (S)-3-Methylthiohexyl acetate is a flavouring ingredient. Identified in volatile oil of Passiflora edulis. Flavouring ingredient. (S)-3-Methylthiohexyl acetate is found in fruits.
Prenyl benzoate
Prenyl benzoate belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Prenyl benzoate is a balsam, chocolate, and fruity tasting compound. Prenyl benzoate is used as a food additive (EAFUS: Everything Added to Food in the United States).
Benzyl tiglate
Benzyl tiglate is found in cloves. Benzyl tiglate is a flavouring agent. Flavouring agent. Benzyl tiglate is found in cloves.
Isopropyl cinnamate
Isopropyl cinnamate is a flavouring ingredient. Flavouring ingredient
Cinnamyl propionate
Cinnamyl propionate is used in fruit food flavouring. It is used in fruit food flavouring
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
(2S)-5-(Diaminomethylideneamino)-2-(hydroxyamino)pentanoic Acid
3,4-Dihydro-5-hydroxy-4,7-dimethyl-1(2H)-naphthalenone
1-(4,4-DIPHENYL-3-BUTENYL)-3-PIPERIDINECARBOXYLICACIDHYDROCHLORIDE
1-hydroxy-2-hydroxymethyl-3-pent-1,3-dienylbenzene
2-hydroxy-5-methyl-5,8-epoxy-6,7,8,9-tetrahydro-5H-benzo[a]cycloheptene|bruguierol A
4-hydroxy-4,6-dimethyl-1-tetralone|4-hydroxy-4,7-dimethyl-1-tetralone
2-Decene-4,6-diyn-1-ol-Ac|Lachnophyllol acetate|Lachnophyllolacetat
3,4-Dihydro-4-hydroxy-3,6-dimethyl-1(2H)-naphthalenone
3,4-Dihydro-4-hydroxy-4,7-dimethyl-1(2H)-naphthalenone
3,4-Dihydro-4-hydroxy-2,7-dimethyl-1(2H)-naphthalenone
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
deca-4,6-diyn-2(Z)-enoic acid ethyl ester|lachnophyllum ethyl ester
10-acetoxy-deca-2t,4t,8t-trien-6-yne|2,6,8-Decatrien-4-yn-1-ol-Ac|Decatrien-(2,6,8)-in-(4)-ol-(1)-acetat
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.
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.
Ligustilide
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-Methoxyphenyl)-1-pentene-3-one
CONFIDENCE standard compound; INTERNAL_ID 603; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8827; ORIGINAL_PRECURSOR_SCAN_NO 8825 CONFIDENCE standard compound; INTERNAL_ID 603; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8855; ORIGINAL_PRECURSOR_SCAN_NO 8853 CONFIDENCE standard compound; INTERNAL_ID 603; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8873; ORIGINAL_PRECURSOR_SCAN_NO 8871 CONFIDENCE standard compound; INTERNAL_ID 603; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8908; ORIGINAL_PRECURSOR_SCAN_NO 8907 CONFIDENCE standard compound; INTERNAL_ID 603; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8920; ORIGINAL_PRECURSOR_SCAN_NO 8918 CONFIDENCE standard compound; INTERNAL_ID 603; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8924; ORIGINAL_PRECURSOR_SCAN_NO 8921
Ala-Thr
A dipeptide formed from L-alanyl and L-threonine residues.
THR-Ala
A dipeptide formed from L-threonine and L-alanine residues.
3-Isobutylidene-3a,4-dihydrophthalide
Pyrido[2,3-b]pyrazin-3(4H)-one, 4-methyl-2-methylamino- (6CI)
1H-Inden-1-one,6-ethyl-2,3-dihydro-5-methoxy-(9CI)
2-Methoxy-6,7,8,9-tetrahydrobenzocyclohepten-5-one
Carbamic acid,N,N-methylenebis-, C,C-diethyl ester
2,4-Dihydro-5-(4-methoxyphenyl)-3H-pyrazol-3-one
C10H10N2O2 (190.07422400000002)
1H-Benzimidazole-2-carboxylicacid,4-methyl-,methylester(9CI)
C10H10N2O2 (190.07422400000002)
2,4(1H,3H)-Quinazolinedione,1,3-dimethyl-
C10H10N2O2 (190.07422400000002)
4-Cyano-L-phenylalanine monohydrochloride
C10H10N2O2 (190.07422400000002)
8-fluoro-2,3,4,5-tetrahydro-1h-pyrido[4,3-b]indole
1H-Benzimidazole-4-carboxylicacid,2-methyl-,methylester(9CI)
C10H10N2O2 (190.07422400000002)
1H-Indene-1-carboxylic acid,2-hydroxy-,hydrazide
C10H10N2O2 (190.07422400000002)
2-PHENYL-4,5-DIHYDRO-1H-IMIDAZOLE-4-CARBOXYLIC ACID
C10H10N2O2 (190.07422400000002)
5-Amino-2-ethylisoindoline-1,3-dione
C10H10N2O2 (190.07422400000002)
5-Methoxy-1-methyl-1H-benzo[d]imidazole-2-carbaldehyde
C10H10N2O2 (190.07422400000002)
Imidazo[1,2-a]pyridine-2-aceticacid, 8-methyl-
C10H10N2O2 (190.07422400000002)
ETHYL 2-CYANO-2-PYRIDIN-3-YL-ACETATE
C10H10N2O2 (190.07422400000002)
3-METHOXY-5,6,7,8-TETRAHYDRO-NAPHTHALENE-2-CARBALDEHYDE
Ethyl imidazo[1,2-a]pyridine-2-carboxylate
C10H10N2O2 (190.07422400000002)
3-(3-Methyl-1,2,4-oxadiazol-5-yl)benzyl alcohol
C10H10N2O2 (190.07422400000002)
2-dimethylaminoisoindole-1,3-dione
C10H10N2O2 (190.07422400000002)
3-Ethyl-1H-indazole-5-carboxylic acid
C10H10N2O2 (190.07422400000002)
Methyl 3-Methyl-1H-indazole-5-carboxylate
C10H10N2O2 (190.07422400000002)
N-(Cyanomethyl)-4-methoxybenzamide
C10H10N2O2 (190.07422400000002)
ethyl 1H-pyrrolo[3,2-c]pyridine-4-carboxylate
C10H10N2O2 (190.07422400000002)
3-(IMIDAZO[1,2-A]PYRIDIN-2-YL)PROPANOIC ACID
C10H10N2O2 (190.07422400000002)
Acetamide, 2-cyano-N-[(5-methylpyrazinyl)methyl]- (9CI)
1H-Pyrrolo[3,2-c]pyridine-6-carboxylic acid, ethyl ester
C10H10N2O2 (190.07422400000002)
8-METHYL-4-HYDROXYLAMINOQUINOLINE1-OXIDE
C10H10N2O2 (190.07422400000002)
1-Methyl-3,5,7-triaza-1-azonia tricyclo (3.3.1.1.(3.7)) decane
C7H15ClN4 (190.09851799999998)
METHYL 1-METHYL-1H-BENZO[D]IMIDAZOLE-2-CARBOXYLATE
C10H10N2O2 (190.07422400000002)
3,7-Dimethyl-1H-indazole-5-carboxylic acid
C10H10N2O2 (190.07422400000002)
5-methyl-1-phenylimidazolidine-2,4-dione
C10H10N2O2 (190.07422400000002)
1-Naphthalenecarboxylic acid, 5,6,7,8-tetrahydro-, Methyl ester
2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
C10H10N2O2 (190.07422400000002)
2,4-Imidazolidinedione,5-methyl-5-phenyl-
C10H10N2O2 (190.07422400000002)
(R)-3-Amino-3-(4-cyanophenyl)propanoic acid
C10H10N2O2 (190.07422400000002)
1-[4-(2-Chloroethyl)-1-piperazinyl]ethanone
C8H15ClN2O (190.08728499999998)
8-METHOXY-2-METHYL-3H-QUINAZOLIN-4-ONE
C10H10N2O2 (190.07422400000002)
8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-ONE OXIME HYDROCHLORIDE
C8H15ClN2O (190.08728499999998)
2-Cyano-N-(3-methoxyphenyl)acetamide
C10H10N2O2 (190.07422400000002)
4-Methoxy-6-methyl-1H-indazole-3-carbaldehyde
C10H10N2O2 (190.07422400000002)
N-[1-(aminomethyl)cyclopentyl]-2-chloroacetamide
C8H15ClN2O (190.08728499999998)
6-METHOXY-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBALDEHYDE
(4-(3-OXOCYCLOBUTYL)PHENYL)BORONIC ACID
C10H11BO3 (190.08012060000001)
1-(cyclopropylcarbonyl)piperazine hydrochloride
C8H15ClN2O (190.08728499999998)
2,3-dimethylphenylhydrazine hydrochloride
C8H15ClN2O (190.08728499999998)
1-(3-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
1-(4-hydroxy-7-methyl-2,3-dihydro-1H-inden-5-yl)ethanone
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.
3-(3,5-DIMETHYLISOXAZOL-4-YL)PROPAN-1-AMINE
C8H15ClN2O (190.08728499999998)
4-METHOXY-5,6,7,8-TETRAHYDRO-1-NAPHTHALENE-CARBALDEHYDE
4-(1,3,2-Dioxaborinan-2-yl)benzaldehyde
C10H11BO3 (190.08012060000001)
6-METHOXY-2,3,4,8B-TETRAHYDRO-1AH-1-OXA-BENZO[A]CYCLOPROPA[C]CYCLOHEPTENE
Cyclopropanecarboxylicacid, 2-phenyl-, ethyl ester, (1R,2R)-rel-
(1R,2S)-2-amino-3,3,3-trideuterio-1-phenylpropan-1-ol,hydrochloride
C9H11ClD3NO (190.09521793399998)
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
4-tert-butyl 3-methyl thiomorpholine-3,4-dicarboxylate 1,1-dioxide
ethyl (1R,3S,4S)-3-fluoro-4-hydroxycyclohexane-1-carboxylate
(1R,2R)-rel-(-)-2-(2,3-Dihydro-4-benzofuranyl)cyclopropanemethanol
1H-Inden-1-one,2,3-dihydro-5-(1-methylethoxy)-(9CI)
acetic acid,(3S,4S)-3-amino-1-hydroxy-4-methylpyrrolidin-2-one
2,8-Diazaspiro[4.5]decan-1-one hydrochloride
C8H15ClN2O (190.08728499999998)
2,7-Diazaspiro[4.5]decan-1-one hydrochloride
C8H15ClN2O (190.08728499999998)
(4-(Cyclopropanecarbonyl)phenyl)boronic acid
C10H11BO3 (190.08012060000001)
1H-Benzimidazole-2-carboxylicacid,1-methyl-,hydrazide(9CI)
1-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
(3R,4R)-3-Amino-1-hydroxy-4-Methyl-2-pyrrolidinone Acetate
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
Dehydro-2(S)-amino-6-boronohexanoic acid
C6H13BNO5- (190.08867379999998)
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.
(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.
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
2,3,3a,6,7,8a-Hexahydro-3a,8a-methano-1H-dicyclopenta[b,e]pyran-8(5H)-one
Ligusticide
(Z)-ligustilide is a butenolide. It has a role as a metabolite. Ligustilide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. A natural product found in Ligusticum porteri.
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.
Precocene I
A member of the class of chromenes that is 2H-chromene substituted by a methoxy group at position 7 and two methyl groups at position 2.
(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.
gamma-Hydroxyarginine
A hydroxyarginine in which the hydroxy group is located at position 4.
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.
3-(2-Methylpropylidene)-3alpha,4-dihydro-1(3H)-isobenzofuranone
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid
(3S)-3-hydroxy-L-arginine
A hydroxy-L-arginine in which the hydroxy group is located at position 3 (the 3S-diastereomer).
DD-2,6-diaminopimelic acid
A 2,6-diaminopimelic acid in which both chiral centres have R configuration.
N(5)-[amino(hydroxyimino)methyl]-L-ornithine zwitterion
Zwitterionic form of N(5)-[amino(hydroxyimino)methyl]-L-ornithine having an anionic carboxy group and a protonated alpha-amino group.
N(5)-[(Z)-amino(hydroxyimino)methyl]-L-ornithine
An N(5)-[amino(hydroxyimino)methyl]-L-ornithine in which the double bond has Z-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.
(3s,4s)-4-hydroxy-3,6-dimethyl-3,4-dihydro-2h-naphthalen-1-one
(4r)-6-hydroxy-4,7-dimethyl-3,4-dihydro-2h-naphthalen-1-one
2-amino-4-[(2-hydroxyethyl)-c-hydroxycarbonimidoyl]butanoic acid
3'-ethyl-6,7-dihydrospiro[2-benzofuran-1,1'-cyclopropan]-3-one
1-(2-hydroxy-5-methylphenyl)-2-penten-1-one
{"Ingredient_id": "HBIN000869","Ingredient_name": "1-(2-hydroxy-5-methylphenyl)-2-penten-1-one","Alias": "NA","Ingredient_formula": "C12H14O2","Ingredient_Smile": "CCC=CC(=O)C1=C(C=CC(=C1)C)O","Ingredient_weight": "190.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9701","PubChem_id": "5373750","DrugBank_id": "NA"}
(3s)-butylphthalide
{"Ingredient_id": "HBIN009718","Ingredient_name": "(3s)-butylphthalide","Alias": "(3s)-butylphthalide","Ingredient_formula": "C12H14O2","Ingredient_Smile": "CCCCC1C2=CC=CC=C2C(=O)O1","Ingredient_weight": "190.24 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9941;15811","PubChem_id": "11116832","DrugBank_id": "NA"}