Exact Mass: 219.083
Exact Mass Matches: 219.083
Found 500 metabolites which its exact mass value is equals to given mass value 219.083,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pantothenic acid
(R)-pantothenic acid is a pantothenic acid having R-configuration. It has a role as an antidote to curare poisoning, a human blood serum metabolite and a geroprotector. It is a vitamin B5 and a pantothenic acid. It is a conjugate acid of a (R)-pantothenate. Pantothenic acid, also called pantothenate or vitamin B5 (a B vitamin), is a water-soluble vitamin discovered by Roger J. Williams in 1919. For many animals, pantothenic acid is an essential nutrient as it is required to synthesize coenzyme-A (CoA), as well as to synthesize and metabolize proteins, carbohydrates, and fats. Pantothenic acid is the amide between pantoic acid and β-alanine and commonly found as its alcohol analog, the provitamin panthenol, and as calcium pantothenate. Small quantities of pantothenic acid are found in nearly every food, with high amounts in whole-grain cereals, legumes, eggs, meat, royal jelly, avocado, and yogurt. Pantothenic acid is an ingredient in some hair and skin care products. Only the dextrorotatory (D) isomer of pantothenic acid possesses biological activity. while the levorotatory (L) form may antagonize the effects of the dextrorotatory isomer. Pantothenic acid is a metabolite found in or produced by Escherichia coli (strain K12, MG1655). Pantothenic acid is a natural product found in Chlamydomonas reinhardtii, Arabidopsis thaliana, and other organisms with data available. Pantothenic Acid is a water-soluble vitamin ubiquitously found in plants and animal tissues with antioxidant property. Vitamin B5 is a component of coenzyme A (CoA) and a part of the vitamin B2 complex. Vitamin B5 is a growth factor and is essential for various metabolic functions, including the metabolism of carbohydrates, proteins, and fatty acids. This vitamin is also involved in the synthesis of cholesterol, lipids, neurotransmitters, steroid hormones, and hemoglobin. (R)-Pantothenic acid is a metabolite found in or produced by Saccharomyces cerevisiae. A butyryl-beta-alanine that can also be viewed as pantoic acid complexed with BETA ALANINE. It is incorporated into COENZYME A and protects cells against peroxidative damage by increasing the level of GLUTATHIONE. See also: Broccoli (part of). Pantothenic acid, also called vitamin B5, is a water-soluble vitamin required to sustain life. Pantothenic acid is needed to form coenzyme-A (CoA), and is thus critical in the metabolism and synthesis of carbohydrates, proteins, and fats. Its name is derived from the Greek pantothen meaning "from everywhere" and small quantities of pantothenic acid are found in nearly every food, with high amounts in whole grain cereals, legumes, eggs, meat, and royal jelly. Pantothenic acid is classified as a member of the secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl). Pantothenic acid is considered to be soluble (in water) and acidic. (r)-pantothenate, also known as (+)-pantothenic acid or vitamin b5, is a member of the class of compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R) (R,R=alkyl, aryl) (r)-pantothenate is soluble (in water) and a weakly acidic compound (based on its pKa). (r)-pantothenate can be found in a number of food items such as spirulina, nance, cereals and cereal products, and sparkleberry, which makes (r)-pantothenate a potential biomarker for the consumption of these food products (r)-pantothenate can be found primarily in blood and urine (r)-pantothenate exists in all eukaryotes, ranging from yeast to humans. D018977 - Micronutrients > D014815 - Vitamins A pantothenic acid having R-configuration. Acquisition and generation of the data is financially supported in part by CREST/JST. KEIO_ID P032; [MS2] KO009182 KEIO_ID P032; [MS3] KO009183 KEIO_ID P032 D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
N-PHENYL-1-NAPHTHYLAMINE
CONFIDENCE standard compound; INTERNAL_ID 1239; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10077; ORIGINAL_PRECURSOR_SCAN_NO 10074 CONFIDENCE standard compound; INTERNAL_ID 1239; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10054; ORIGINAL_PRECURSOR_SCAN_NO 10051 CONFIDENCE standard compound; INTERNAL_ID 1239; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10017; ORIGINAL_PRECURSOR_SCAN_NO 10013 CONFIDENCE standard compound; INTERNAL_ID 1239; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10109; ORIGINAL_PRECURSOR_SCAN_NO 10106 CONFIDENCE standard compound; INTERNAL_ID 1239; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10083; ORIGINAL_PRECURSOR_SCAN_NO 10080 CONFIDENCE standard compound; INTERNAL_ID 1239; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10041; ORIGINAL_PRECURSOR_SCAN_NO 10037 D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes CONFIDENCE standard compound; INTERNAL_ID 4139 CONFIDENCE standard compound; INTERNAL_ID 2426 CONFIDENCE standard compound; INTERNAL_ID 8127 D009676 - Noxae > D002273 - Carcinogens
aniracetam
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent Same as: D01883 Aniracetam (Ro 13-5057) is an orally active neuroprotective agent, possessing nootropics effects. Aniracetam potentiates the ionotropic quisqualate (iQA) responses in the CA1 region of rat hippocampal slices. Aniracetam also potentiates the excitatory post synaptic potentials (EPSPs) in Schaffer collateral-commissural synapses. Aniracetam can prevents the CO2-induced impairment of acquisition in hypercapnia model rats. Aniracetam can be used to research cerebral dysfunctional disorders[1][2][3][4].
N-Phenyl-2-naphthylamine
CONFIDENCE standard compound; INTERNAL_ID 1105; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10025; ORIGINAL_PRECURSOR_SCAN_NO 10023 CONFIDENCE standard compound; INTERNAL_ID 1105; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10038; ORIGINAL_PRECURSOR_SCAN_NO 10033 CONFIDENCE standard compound; INTERNAL_ID 1105; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10043; ORIGINAL_PRECURSOR_SCAN_NO 10042 CONFIDENCE standard compound; INTERNAL_ID 1105; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9976; ORIGINAL_PRECURSOR_SCAN_NO 9974 CONFIDENCE standard compound; INTERNAL_ID 1105; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9984; ORIGINAL_PRECURSOR_SCAN_NO 9980 CONFIDENCE standard compound; INTERNAL_ID 1105; DATASET 20200303_ENTACT_RP_MIX503; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9994; ORIGINAL_PRECURSOR_SCAN_NO 9992 N-Phenyl-2-naphthylamine is found in root vegetables. N-Phenyl-2-naphthylamine is a constituent of Daucus carota (carrot). Constituent of Daucus carota (carrot). N-Phenyl-2-naphthylamine is found in root vegetables. CONFIDENCE standard compound; INTERNAL_ID 8366 CONFIDENCE standard compound; INTERNAL_ID 28
Homoserine, O-succinyl-
Acquisition and generation of the data is financially supported in part by CREST/JST.
Nitroarginine
An L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group. C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor D004791 - Enzyme Inhibitors
Amidino-3-keto-scyllo-inosamine
(Z)-Oxamyl
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Indolmycenic acid
An indol-3-yl carboxylic acid that is 3-(1H-indol-3-yl)butanoic acid substituted at positions 2 and 3 by hydroxy and methyl groups respectively.
1-Isothiocyanato-7-(methylsulfinyl)heptane
1-Isothiocyanato-7-(methylsulfinyl)heptane is found in brassicas. 1-Isothiocyanato-7-(methylsulfinyl)heptane is a flavour component of Japanese horseradish (Wasabia japonica). Flavour component of Japanese horseradish (Wasabia japonica). 1-Isothiocyanato-7-(methylsulfinyl)heptane is found in brassicas.
alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid
alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid is found in nuts. alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid is a constituent of the skins of peanuts (Arachis hypogaea). Constituent of the skins of peanuts (Arachis hypogaea). alpha-Hydroxy-1-methyl-1H-indole-3-propanoic acid is found in nuts.
alpha-Methoxy-1H-indole-3-propanoic acid
alpha-Methoxy-1H-indole-3-propanoic acid is found in nuts. alpha-Methoxy-1H-indole-3-propanoic acid is a constituent of the skins of peanuts (Arachis hypogaea). Constituent of the skins of peanuts (Arachis hypogaea). alpha-Methoxy-1H-indole-3-propanoic acid is found in nuts.
N-Deschlorobenzoyl indomethacin
N-Deschlorobenzoyl indomethacin is only found in individuals that have used or taken Indomethacin. N-Deschlorobenzoyl indomethacin is a metabolite of Indomethacin. N-deschlorobenzoyl indomethacin belongs to the family of Indole-3-acetic Acid Derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
Asparaginyl-Serine
Asparaginyl-Serine is a dipeptide composed of asparagine and serine. 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.
Serylasparagine
Serylasparagine is a dipeptide composed of serine 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.
Nigellimine N-oxide
Nigellimine N-oxide is found in herbs and spices. Minor alkaloid from the seeds of Nigella sativa (blcak cumin).
2-Hexylbenzothiazole
2-Hexylbenzothiazole is found in nuts. 2-Hexylbenzothiazole is a volatile flavour component of roasted peanuts. Volatile flavour component of roasted peanuts. 2-Hexylbenzothiazole is found in nuts.
ID11614
ID11614 is a metabolite of lurasidone. Lurasidone (trade name Latuda) is an atypical antipsychotic developed by Dainippon Sumitomo Pharma. It was approved by the U.S. Food and Drug Administration (FDA) for treatment of schizophrenia on October 28, 2010 after a review that found that two of the four Phase III clinical trials supported efficacy, while one showed only marginal efficacy and one was not interpretable because of high drop-out rates. (Wikipedia)
8,9-Dihydroxy-1,5,6,10B-tetrahydropyrrolo[2,1-A]isoquinolin-3(2H)-one
3-[[(2S)-2,4-Dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid
Pantothenic acid is a water-soluble vitamin. For many animals, pantothenic acid is an essential nutrient. Only the dextrorotatory (D) isomer of pantothenic acid possesses biologic activity. The levorotatory (L) form may antagonize the effects of the dextrorotatory isomer. Pantothenic acid is found in many foods, some of which are cream substitute, yellow bell pepper, corn, and atlantic mackerel. D018977 - Micronutrients > D014815 - Vitamins D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
L-Homocysteine, S-(2-((1-iminoethyl)amino)ethyl)-
Nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
Oxamyl
C471 - Enzyme Inhibitor > C47792 - Acetylcholinesterase Inhibitor
Pantothenic Acid
D018977 - Micronutrients > D014815 - Vitamins D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
1,2,6,7-Tetrahydroxy-3-hydroxymethylhexahydro-5-methyl-1H-pyrrolizine
4-(methylthio)-6-(4-pyridyl)-1,3,5-triazin-2-amine
N-hydroxy-1-[3-(trifluoromethyl)phenyl]propan-2-amine
7,8-dimethoxy-1,3-dihydro-2H-3-benzazepin-2-one
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1059
(1S*,2R*,3R*,5S*,7R*,7a*R)-3,5-dihydroxymethyl-1,2,7-trihydroxypyrrolizidine|hyacinthacine C3
2-Amino-4-hydroxy-4-(2-methylpropyl)pentanedioic acid
Me glycoside,N-Ac-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose
Me glycoside,N-Ac-alpha-D-Pyranose-2-Amino-2,3-dideoxy-ribo-hexopyranose
1-Isothiocyanato-7-(methylsulfinyl)-heptane
Acquisition and generation of the data is financially supported in part by CREST/JST.
aniracetam
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D018697 - Nootropic Agents C26170 - Protective Agent > C1509 - Neuroprotective Agent Same as: D01883 Aniracetam (Ro 13-5057) is an orally active neuroprotective agent, possessing nootropics effects. Aniracetam potentiates the ionotropic quisqualate (iQA) responses in the CA1 region of rat hippocampal slices. Aniracetam also potentiates the excitatory post synaptic potentials (EPSPs) in Schaffer collateral-commissural synapses. Aniracetam can prevents the CO2-induced impairment of acquisition in hypercapnia model rats. Aniracetam can be used to research cerebral dysfunctional disorders[1][2][3][4].
D-Pantothenic acid
D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
Sodium pantothenate
D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
FEN_220.0944_12.9
CONFIDENCE Tentative identification: most likely structure (Level 3); INTERNAL_ID 603
Pantothenic Acid
A member of the class of pantothenic acids that is an amide formed from pantoic acid and beta-alanine. MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; GHOKWGTUZJEAQD-UHFFFAOYSA-N_STSL_0009_Panthothenate_0500fmol_180410_S2_LC02_MS02_49; 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. CONFIDENCE standard compound; INTERNAL_ID 123 D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
C12H13NO3_1H-Indole-3-propanoic acid, alpha-hydroxy-beta-methyl
1-isothiocyanato-7-methanesulfinylheptane
Annotation level-3
pantothenate
CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2028; ORIGINAL_PRECURSOR_SCAN_NO 2025 D018977 - Micronutrients > D014815 - Vitamins CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2045; ORIGINAL_PRECURSOR_SCAN_NO 2043 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2007; ORIGINAL_PRECURSOR_SCAN_NO 2005 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2020; ORIGINAL_PRECURSOR_SCAN_NO 2018 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2022; ORIGINAL_PRECURSOR_SCAN_NO 2020 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 2020; ORIGINAL_PRECURSOR_SCAN_NO 2018 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4240; ORIGINAL_PRECURSOR_SCAN_NO 4238 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4241; ORIGINAL_PRECURSOR_SCAN_NO 4239 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4259; ORIGINAL_PRECURSOR_SCAN_NO 4257 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4274; ORIGINAL_PRECURSOR_SCAN_NO 4273 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4270; ORIGINAL_PRECURSOR_SCAN_NO 4268 CONFIDENCE standard compound; INTERNAL_ID 870; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4269; ORIGINAL_PRECURSOR_SCAN_NO 4266 D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1]. D-Pantothenic acid (Pantothenate) is an essential trace nutrient that functions as the obligate precursor of coenzyme A (CoA). D-Pantothenic acid plays key roles in myriad biological processes, including many that regulate carbohydrate, lipid, protein, and nucleic acid metabolism[1].
7-(1-piperazinyl-thieno[2,3-c]pyridine, monohydrochloride
Nigellimine N-oxide
Minor alkaloid from the seeds of Nigella sativa (blcak cumin). Nigellimine N-oxide is found in herbs and spices.
3-[(dimethylamino)methyl]-1-benzofuran-2-carboxylic acid
methyl (4s,5s)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
1-Methyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
(2-CHLORO-6-METHYL-PYRIMIDIN-4-YL)-ISOPROPYL-AMINE
2-Trifluoromethyl-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-ol
ETHANONE, 1-[3-(4-FLUOROPHENYL)-5-METHYL-4-ISOXAZOLYL]-
ENDO-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL METHANESULFONATE
ETHYL 5-OXO-5,6,7,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE
2-amino-3-(3h-imidazol-4-yl)-propionic acid ethyl ester
BOC-S-HABA BUTANOIC ACID,4-[[(1,1-DIMETHYLETHOXY)CARBONYL]AMINO]-2-HYDROXY-, (2S)- (9CI)
ETHYL 3-(PYRIDIN-2-YL)-1,2,4-OXADIAZOLE-5-CARBOXYLATE
(S)-2-(3-(TERT-BUTOXYCARBONYLAMINO)-2-OXOPIPERIDIN-1-YL)ACETICACID
Urea, N-(2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl)-N-methyl- (9CI)
2-((tert-Butoxycarbonyl)amino)-3-methoxypropanoic acid
2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetic acid
2-[3-(4-METHOXY-PHENYL)-[1,2,4]OXADIAZOL-5-YL]-ETHYLAMINE
2-(Trimethylsilyl)furo[3,2-b]pyridine-6-carbaldehyde
tert-butyl (2S)-2-(chloromethyl)pyrrolidine-1-carboxylate
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-allothreonine
5-ethyl-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
4-methylsulfanyl-6-pyridin-2-yl-1,3,5-triazin-2-amine
(S)-1-ETHOXYCARBONYL-2-(3H-IMIDAZOL-4-YL)-ETHYLAMINE HCL
(2-Methoxyphenyl)-(5-methyl-1,3,4-oxadiazol-2-yl)methanamine
1-chloro-N-methyl-1-phenylpropan-2-amine,hydrochloride
4-Isoxazolecarboxylic acid,4,5-dihydro-3-methyl-4-(4-methylphenyl)-,(-)-
N-[(3R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]-4-hydroxy-2-oxooxolan-3-yl]acetamide
(3S)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-hydroxybutanoic acid
2-[(1S)-3-HYDROXY-1-METHYLPROPYL]-1H-ISOINDOLE-1,3(2H)-DIONE
3-((tert-Butoxycarbonyl)(methoxy)amino)propanoic acid
3,4-dihydro-4,4-dimethyl-7-nitro-naphthalen-1(2H)-one
3-PYRIDIN-4-YL-[1,2,4]OXADIAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
Ethyl 2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylate
ethyl 2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carboxylate
Propanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-2-hydroxy-, methyl
diendo-3-amino-bicyclo[2.2.1]heptane-2-carboxylic acid ethyl ester hydrochloride
ethyl 8-oxo-5H-pyrido[2,3-b]pyrazine-7-carboxylate
4-[(Cyclopropylcarbonyl)amino]-3-methylbenzoic acid
(2E)-3-(5-FLUORO-3-METHYL-1H-INDOL-7-YL)- 2-PROPENOIC ACID
Uredepa
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent
Pyridinium,2-methyl-1-(phenylmethyl)-, chloride (1:1)
ethyl 2-(3-amino-4-methylpyridin-2-yl)-2-cyanoacetate
4-methyl-5-oxo-1-phenyl-1,2,4-triazole-3-carboxylic acid
3-(3-PYRIDIN-4-YL-1,2,4-OXADIAZOL-5-YL)PROPANOIC ACID
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoic acid
Ethyl 3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxylate
6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid(SALTDATA: FREE)
(3R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
6,7-Dimethyl-2-oxa-7-azaspiro[4.5]decan-1-one hydrochloride (1:1)
2-Amino-2,8-diazaspiro[4.5]decane-1,3-dione hydrochloride (1:1)
Clortermine
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
ethyl 4-oxo-1H-pyrido[3,4-d]pyrimidine-2-carboxylate
2-Acetyl-1,2,3,4-tetrahydroisoquinoline-3-carboxylic Acid
(3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
ethyl 3-exo-aminobicyclo[2.2.1]heptane-2-exo-carboxylate hydrochloride
(R)-TERT-BUTYL 3-(CHLOROMETHYL)PYRROLIDINE-1-CARBOXYLATE
Pyrrolidine, 3,4-diethenyl-1-(trifluoroacetyl)-, cis- (9CI)
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-D-homoserine
2-(7-AMINO-2-HYDROXY[1,8]NAPHTHYRIDIN-4-YL)-ACETIC ACID
Ethyl 4-oxo-3,4-dihydropyrido[2,3-d]pyrimidine-2-carboxylate
2-(2-OXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)ACETIC ACID
3-(3-Aminopropyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
(2-(4-Methoxybenzyl)-2H-1,2,4-triazol-3-yl)methanol
1-CYCLOPROPYLMETHYL-PIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
4-chloro-6-methyl-2-(6-methylpyridin-2-yl)pyrimidine
6,7,8-TRIHYDROXY-1-(HYDROXYMETHYL)-2-OXA-4-AZABICYCLO[3.3.1]NONAN-3-ONE
5-METHOXY-1,2-DIMETHYL-1H-INDOLE-3-CARBOXYLIC ACID
ETHYL 1-METHYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOLE-4-CARBOXYLATE
Benzenemethanamine,N-(2-chloroethyl)-N-methyl-, hydrochloride (1:1)
3-[(3,4-dimethylphenyl)carbamoyl]prop-2-enoic acid
dl-normetanephrine hydrochloride
Normetanephrine ((±)-Normetanephrine) hydrochloride is the O-methylated metabolite of norepinephrine (NE)[1].
D-Mannonicacid, 2-(acetylamino)-2-deoxy-, g-lactone
methyl 4-aminobicyclo[2.2.2]octane-1-carboxylate hydrochloride
ethyl 4,6-dimethylpyrazolo[1,5-a]pyrazine-2-carboxylate
4-methylsulfanyl-6-pyridin-4-yl-1,3,5-triazin-2-amine
(1S,3aR,6aS)-ethyloctahydrocyclopenta[c]pyrrole-1-carboxylate hydrochloride
5-(2-fluorophenyl)-1H-pyrrole-3-carboxylic acid methyl ester
(R)-2-(3,5-DIFLUOROPHENYL)PYRROLIDINE HYDROCHLORIDE
3-(cyclopropanecarbonylamino)-4-methylbenzoic acid
1-[(tert-butoxy)carbonyl]-3-fluoroazetidine-3-carboxylic acid
ETHYL 4-(DICYANOMETHYLENE)PIPERIDINE-1-CARBOXYLATE
10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carbonitrile
1-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid(SALTDATA: FREE)
1-(2-FURYLMETHYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
Spiro[piperidine-4,4-pyrido[2,3-d][1,3]oxazin]-2(1H)-one
Carbamic acid, (4-cyano-2-pyridinyl)-, 1,1-dimethylethyl ester (9CI)
4-methylsulfanyl-6-pyridin-3-yl-1,3,5-triazin-2-amine
2-[(1r)-3-hydroxy-1-methylpropyl]-1h-isoindole-1,3(2h)-dione
Epinephrine Hydrochloride
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D009184 - Mydriatics D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents C78273 - Agent Affecting Respiratory System > C29712 - Anti-asthmatic Agent > C319 - Bronchodilator
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoic acid
2-[(Cyclopropylcarbonyl)amino]-3-methylbenzoic acid
2-(TRIFLUOROMETHYL)-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDIN-4-OL
3AR,5R,6S,7R,7AR-5-Hydroxymethyl-2-methyl-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-D]thiazole-6,7-diol
Chlorphentermine hydrochloride
D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents > D013566 - Sympathomimetics C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
2-Amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid
Methyl 1-isopropyl-1,2,3-benzotriazole-5-carboxylate
2-[(1R,2R,3S,4R,6S)-2,3,4,6-tetrahydroxy-5-oxocyclohexyl]guanidine
Nitro (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
1-(4-Methyl-1,2,5-oxadiazol-3-yl)-3-pyridin-3-ylurea
4-(4-Methyl-1-oxido-2-triazol-1-iumyl)benzoic acid
5-[(2E)-2-[(5-methylfuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazin-3-one
hydron;4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;chloride
3-(dimethylaminomethylidene)-1H-isothiochromen-4-one
(2S)-2-amino-3-(5-fluoro-2-hydroxy-6-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid
3-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxypropanoate
2-acetamido-3-[(E)-prop-1-enyl]sulfinylpropanoic acid
N-PHENYL-1-NAPHTHYLAMINE
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D004396 - Coloring Agents > D005456 - Fluorescent Dyes D009676 - Noxae > D002273 - Carcinogens
5-methoxy-2-methyl-3-indoleacetic acid
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids
N-acetyl-D-glucosamino-1,5-lactone
A deoxygluconolactone that results from the cyclisation and formal condensation of the carboxy group of 2-amino-2-deoxy-D-gluconic acid with its 5-hydroxy group. It is a sex pheromone found in the urine of female blue crabs, Callinectes sapidus. 2-Acetamido-2-deoxy-D-gluconolactone. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=19026-22-3 (retrieved 2024-08-23) (CAS RN: 19026-22-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
SK609 (hydrochloride)
SK609 hydrochloride is a dopamine D3 receptor (D3R) selective agonist with an EC50 of 1109 nM. SK609 hydrochloride has the potential for parkinson research[1].
(z,2e)-n-[(1z)-2-(methylsulfanyl)ethenyl]-3-phenylprop-2-enimidic acid
6,7_dimethoxy_2_methylisocarbostyril
{"Ingredient_id": "HBIN012078","Ingredient_name": "6,7_dimethoxy_2_methylisocarbostyril","Alias": "NA","Ingredient_formula": "C12H13NO3","Ingredient_Smile": "CN1C=CC2=CC(=C(C=C2C1=O)OC)OC","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41093","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
