Exact Mass: 402.038957
Exact Mass Matches: 402.038957
Found 133 metabolites which its exact mass value is equals to given mass value 402.038957
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
dTDP
C10H16N2O11P2 (402.02293259999993)
Is an intermediate in the Thymidylate kinase (EC 2.7.4.9; ATP:dTMP phosphotransferase) catalyzes the phosphorylation of dTMP (to form dTDP) in the dTTP synthesis pathway for DNA synthesis. (OMIM 188345 ) [HMDB]. dTDP is found in many foods, some of which are bog bilberry, poppy, garden tomato, and chanterelle. Is an intermediate in the Thymidylate kinase (EC 2.7.4.9; ATP:dTMP phosphotransferase) catalyzes the phosphorylation of dTMP (to form dTDP) in the dTTP synthesis pathway for DNA synthesis. (OMIM 188345 ) Acquisition and generation of the data is financially supported in part by CREST/JST. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents
4'-Phosphopantothenoylcysteine
4-Phosphopantothenoylcysteine, also known as pantothenoylcysteine 4-phosphate, belongs to the class of organic compounds known as hybrid peptides. Hybrid peptides are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. 4-Phosphopantothenoylcysteine is an extremely weak basic (essentially neutral) compound (based on its pKa). Within humans, 4-phosphopantothenoylcysteine participates in a number of enzymatic reactions. In particular, cytidine monophosphate and 4-phosphopantothenoylcysteine can be biosynthesized from cytidine triphosphate, D-4-phosphopantothenate, and L-cysteine through the action of the enzyme phosphopantothenate--cysteine ligase. 4-Phosphopantothenoylcysteine (PPC) is an intermediate in the biosynthetic machinery (pathway) that converts pantothenate (vitamin B5) into coenzyme A (CoA). The enzyme phosphopantothenoylcysteine decarboxylase catalyzes the decarboxylation of PPC into 4-phosphopantetheine. Coenzyme A is the principal acyl carrier and is required for many synthetic and degradative reactions in intermediary metabolism, and is an essential cofactor in all living systems (PMID: 15450493, 16371361, 14501115). 4-Phosphopantothenoylcysteine (PPC) is an intermediate in the biosynthetic machinery (pathway) that converts pantothenate (vitamin B5) into coenzyme A (CoA). The enzyme Phosphopantothenoylcysteine decarboxylase catalyzes the decarboxylation of PPC to 4-phosphopantetheine. Coenzyme A is the principal acyl carrier and is required for many synthetic and degradative reactions in intermediary metabolism, and is an essential cofactor in all living systems. (PMID: 15450493, 16371361, 14501115) [HMDB]
Shoyuflavone B
C19H14O10 (402.05869440000004)
Shoyuflavone B is found in herbs and spices. Shoyuflavone B is isolated from fermented soy sauce. Shoyuflavone B is produced by Aspergillus oryza Isolated from fermented soy sauce. Production by Aspergillus oryzae. Shoyuflavone B is found in herbs and spices.
N-(Cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-(difluoromethoxy)benzamide
C17H14Cl2F2N2O3 (402.03494980000005)
dichlorodihydrofluorescein
Dichlorofluorescin
D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
Pritelivir
C18H18N4O3S2 (402.08202780000005)
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D004791 - Enzyme Inhibitors
Roflumilast
C17H14Cl2F2N2O3 (402.03494980000005)
R - Respiratory system > R03 - Drugs for obstructive airway diseases C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
7,7a-Dichloro-3',6'-dihydroxyspiro[7H-2-benzofuran-3,9'-xanthene]-1-one
Psoberan
Psoberan can be found in fig, which makes psoberan a potential biomarker for the consumption of this food product. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins
Ethyl 2-cyano-3-[(2-ethoxy-2-oxoethyl)sulfanyl]-3-[2-(trifluoromethyl)anilino]acrylate
C17H17F3N2O4S (402.08610780000004)
4,6-Diformyl-8-hydroxy-9-hydroxymethyl-3-methoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-8-hydroxy-9-hydroxymethyl-3-methoxy-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
C19H14O10 (402.05869440000004)
2,3,6-tricarboxy-6,7-dihydroxy-1(3)-2-pyranonyl-1,2-dihydronaphthalene-10-methyl ester
C19H14O10 (402.05869440000004)
2,3,6-tricarboxy-6,7-dihydroxy-1(3)-2-pyranonyl-1,2-dihydronaphthalene-9-methyl ester
C19H14O10 (402.05869440000004)
1-(alpha-Hydroxybenzyl)-3,7-dihydroxy-8-methoxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid 2,1-lactone
4,6-Diformyl-3,8-dihydroxy-9-methoxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-3,8-dihydroxy-9-methoxymethyl-1-methyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
C19H14O10 (402.05869440000004)
3,4,4,5-tetrahydroxy-3-methoxypulvinic acid|retiboletic acid
C19H14O10 (402.05869440000004)
3,4,5,5-O-Tetramethyl-3,4-O,O-methylidenecoruleoellagic acid d
C19H14O10 (402.05869440000004)
Roflumilast
C17H14Cl2F2N2O3 (402.03494980000005)
R - Respiratory system > R03 - Drugs for obstructive airway diseases C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor
Thymidine-5-diphosphate sodium salt
C10H16N2O11P2 (402.02293259999993)
C21H19ClO6_[5-(Benzoyloxy)-3-chloro-4,6-dihydroxy-1-cyclohexen-1-yl]methyl benzoate
C21H19ClO6 (402.08701040000005)
(5-benzoyloxy-3-chloro-4,6-dihydroxycyclohexen-1-yl)methyl benzoate
C21H19ClO6 (402.08701040000005)
(5-benzoyloxy-2-chloro-1,6-dihydroxycyclohex-3-en-1-yl)methyl benzoate
C21H19ClO6 (402.08701040000005)
Shoyuflavone B
C19H14O10 (402.05869440000004)
1-TERT-BUTYL 3-METHYL 5-IODO-1H-INDAZOLE-1,3-DICARBOXYLATE
Bis(1-propyl-3-methylcyclopentadienyl)zirconium dichloride
bis(tert-butylcyclopentadienyl)zirconium dichloride
phenethicillin potassium
C17H19KN2O5S (402.06517040000006)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Methicillin SodiuM
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorooctane
1-(2-BROMOPHENYL)-5-ETHYL-3,4-DIPHENYL-1H-PYRAZOLE
C23H19BrN2 (402.07315140000003)
1-(4-chlorophenyl)sulfanyl-4-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene
disodium,5-[2-(1,4,6,9-tetraoxa-5-silanuidaspiro[4.4]nonan-5-yloxy)ethoxy]-1,4,6,9-tetraoxa-5-silanuidaspiro[4.4]nonane
1-O-tert-butyl 5-O-methyl 3-iodoindazole-1,5-dicarboxylate
(2S,4R)-2-METHYL 1-(4-NITROBENZYL) 4-((METHYLSULFONYL)OXY)PYRROLIDINE-1,2-DICARBOXYLATE
C15H18N2O9S (402.07329780000003)
methyl 8-iodo-4,5,7-trimethoxynaphthalene-2-carboxylate
1-ETHYL-3-METHYLPYRIDINIUM BIS(TRIFLUOROMETHANESULFONYL)IMIDE
2,3-BIS(3-CHLOROPHENYL)-5-PHENYLTETRAZOLIUM CHLORIDE
2,3-BIS(4-CHLOROPHENYL)-5-PHENYLTETRAZOLIUM CHLORIDE
Methanesulfonic acid, 1,1,1-trifluoro-, 2-chloro-3-[4-(2-methoxyethyl)-1-piperazinyl]phenyl ester
C14H18ClF3N2O4S (402.06278540000005)
4-(Cyclopropylmethoxy)-3-(difluoromethoxy) Roflumilast
C17H14Cl2F2N2O3 (402.03494980000005)
1,2,3,5-tetramethylcyclopenta-1,3-diene,zirconium(4+),dichloride
(S)-5-(((4-((5-Chloropyridin-2-yl)oxy)piperidin-1-yl)sulfonyl)methyl)-5-methylimidazolidine-2,4-dione
S-3-(4-Fluorophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
Parconazole hydrochloride
C17H17Cl3N2O3 (402.0304702000001)
C254 - Anti-Infective Agent > C514 - Antifungal Agent
2,7-Dichlorodihydrofluorescein
D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins
4-[(3-Chlorophenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-1-pyrazolecarbothioamide
5-(2,4-dichlorophenyl)-4,6-dioxo-3a,6a-dihydro-2H-pyrrolo[3,4-d]isoxazole-3,3-dicarboxylic acid dimethyl ester
N-((E)-{4-[(2-chloro-1,3-thiazol-5-yl)methoxy]-3-methoxyphenyl}methylidene)isonicotinohydrazide
2-[[1-(4-Methoxy-2-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]benzoic acid
(1S,6alpha)-1-(Benzoyloxy)methyl-6-chloro-4-cyclohexene-1beta,2beta,3alpha-triol 3-benzoate
C21H19ClO6 (402.08701040000005)
(2s)-N-[(3s)-1-(2-Amino-2-Oxoethyl)-2-Oxo-1,2,3,4-Tetrahydroquinolin-3-Yl]-2-Chloro-2h-Thieno[2,3-B]pyrrole-5-Carboxamide
2,5-Bis(2-chloro-4-guanidinophenyl)furan
C18H16Cl2N6O (402.07625859999996)
propanoyl-AMP(1-)
An organophosphate oxoanion obtained by removal of the proton from the phosphate group of propanoyl-AMP; major species at pH 7.3
L-Phenylalanine, N-[[(3R)-5-chloro-3,4-dihydro-8-hydroxy-3-methyl-1-oxo-1H-2-benzopyran-7-yl]carbonyl]-
C20H17ClNO6- (402.07443520000004)
(2R,3R,4S)-2-[(2S,3S,4S,5R)-5,6-dihydroxy-2-methyl-4-sulfooxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
4-Fluorobenzoic acid 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
4-{[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-fluorobenzoate
2-[2-nitro-4-(trifluoromethyl)phenoxy]-N-phenylbenzamide
C20H13F3N2O4 (402.08273740000004)
4-[[2-[(4-Methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester
C18H18N4O3S2 (402.08202780000005)
1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-thiazolyl)-5-thieno[2,3-c]pyrazolecarboxamide
4-[(1-Methyl-5-tetrazolyl)thio]-5-(4-phenylphenyl)thieno[2,3-d]pyrimidine
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-quinazolinylthio)acetamide
C18H18N4O3S2 (402.08202780000005)
(17S)-13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
C19H14O10 (402.05869440000004)
[4,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] hydrogen sulate
C15H14O11S (402.02568140000005)
4,5-Dioxo-2-phenyl-1-(4-sulfamoylphenyl)-3-pyrrolidinecarboxylic acid ethyl ester
C19H18N2O6S (402.08855280000006)
4-Acetyl-1-(5-bromopyridin-2-yl)-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
3,7-dihydroxy-2-(3-sulooxyphenyl)-3,4-dihydro-2H-chromene-5-sulinic acid
C15H14O9S2 (402.00792340000004)
[3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl] hydrogen sulate
C15H14O11S (402.02568140000005)
18-Bromo-4,10-diaza-15-azoniahexacyclo[14.3.1.15,9.01,6.07,15.08,12]henicosa-5,7(15),8(12),9(21),10,18-hexaene-17,20,21-triol
Thymidine-5-diphosphate
C10H16N2O11P2 (402.02293259999993)
A thymidine phosphate having a diphosphate group at the 5-position. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents
N-[(R)-4-phosphopantothenoyl]-L-cysteine
The N-[(R)-4-phosphopantothenoyl] derivative of L-cysteine.
ochratoxin A(1-)
C20H17ClNO6 (402.07443520000004)
A monocarboxylic acid anion that is conjugate base of ochratoxin A, arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
Mollicellin J
C21H19ClO6 (402.08701040000005)
A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by a chloro group at position 2, hydroxy groups at position 3 and 7, methyl group at positions 1 and 9, a prenyl group at position 8, an oxo group at position 11 and a formyl group at position 4. Isolated from Chaetomium brasiliense it exhibits cytotoxic activity.
gluconapoleiferin(1-)
A glucosinolate that is glucobrassicanapin which has been hydroxylated at the 3-position of the hex-5-enimidoyl chain.
A-867744
C20H19ClN2O3S (402.08048540000004)
A-867744 is a highly potent and selective type II positive allosteric modulator (PAM) of the alpha7 nicotinic acetylcholine receptors (nAChR) with an EC50 of 1.0 μM[1].
AP521
C20H19ClN2O3S (402.08048540000004)
AP521 is an agonist of human 5-HT1A receptor with an IC50 of 94 nM.
GKT136901 (hydrochloride)
C19H16Cl2N4O2 (402.06502559999996)
GKT136901 hydrochloride is a potent, selective and orally active inhibitor of NADPH oxidase (NOX1/4), with Kis of 160 and 165 nM, respectively. GKT136901 hydrochloride is also a selective and direct scavenger of peroxynitrite. GKT136901 hydrochloride can be used for the research of diabetic nephropathy, stroke, and neurodegeneration. GKT136901 hydrochloride also has anti-inflammatory activity[1][2][3].
PEPA
PEPA is an allosteric modulator of AMPA receptors; binds to the GluA2o and GluA3o LBDs and can be utilized as an indicator of AMPA receptor heterogeneity. IC50 value: Target: AMPAR modulator in vitro: PEPA dose-dependently potentiated AMPA-induced increase of [Ca2+]i. In 90\% (72 out of 80) of the cells in which cyclothiazide acts, PEPA potentiated the increased [Ca2+]i induced by AMPA with pronounced cell-to-cell variation in rat hippocampal cultures [1]. PEPA bound to the binding domains of the GluA2 and GluA3 flop isoforms of AMPA receptors [2]. coapplication of AMPA with PEPA protected hippocampal CA1 neurons from brain ischemia-induced death. Coapplication of AMPA with PEPA could prevent downregulated expression of GluR2 subunit caused by ischemia and increase BDNF expression via Lyn-ERK1/2-CREB signaling [4]. in vivo: PEPA (3, 10, 30mg/kg body weight) or vehicle was intraperitoneally administered into stressed mice once before the first extinction session. The significant decrease of the freezing response in the extinction sessions was only seen in the 30mg/kg PEPA-administered stressed mice, compared with vehicle-administered stressed mice [3].
Pomaglumetad methionil (hydrochloride)
Pomaglumetad methionil hydrochloride (LY2140023 hydrochloride) is an orally active, methionine prodrug of the selective mGlu2/3 receptor agonist LY404039. Pomaglumetad methionil hydrochloride has the potential for schizophrenia research[1][2].
13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carbaldehyde
C19H14O10 (402.05869440000004)
3,4-methylenedioxy-3',4'-o-dimethyl-5,5'-di-methoxyellagicacid
C19H14O10 (402.05869440000004)
{"Ingredient_id": "HBIN007496","Ingredient_name": "3,4-methylenedioxy-3',4'-o-dimethyl-5,5'-di-methoxyellagicacid","Alias": "NA","Ingredient_formula": "C19H14O10","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14358","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-[2-carboxy-6,7-dihydroxy-3-(methoxycarbonyl)-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid
C19H14O10 (402.05869440000004)
(1r)-4,9-dihydroxy-10-methoxy-1-phenyl-1h-anthra[1,2-c]furan-3,6,11-trione
13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carboxylic acid
C19H14O10 (402.05869440000004)
(2r)-2-[(3-{[(2r)-1,2-dihydroxy-3,3-dimethyl-4-(phosphonooxy)butylidene]amino}-1-hydroxypropylidene)amino]-3-sulfanylpropanoic acid
2-chloro-7-[(1e)-hex-1-en-1-yl]-1,6,8-trihydroxy-3-methoxyanthracene-9,10-dione
C21H19ClO6 (402.08701040000005)
5-[(1r,2r)-2-carboxy-6,7-dihydroxy-3-(methoxycarbonyl)-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid
C19H14O10 (402.05869440000004)
(17s)-13,17-dihydroxy-12-(hydroxymethyl)-5-methoxy-7-methyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carbaldehyde
C19H14O10 (402.05869440000004)
7,12,13,14-tetramethoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1,6,8(18),11(19),12,14-hexaene-9,16-dione
C19H14O10 (402.05869440000004)
5-[3-carboxy-6,7-dihydroxy-2-(methoxycarbonyl)-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid
C19H14O10 (402.05869440000004)
(17s)-13,17-dihydroxy-5-methoxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-4-carboxylic acid
C19H14O10 (402.05869440000004)
2-chloro-7-(hex-1-en-1-yl)-1,6,8-trihydroxy-3-methoxyanthracene-9,10-dione
C21H19ClO6 (402.08701040000005)
5-[(1r,2r)-3-carboxy-6,7-dihydroxy-2-(methoxycarbonyl)-1,2-dihydronaphthalen-1-yl]-6-oxopyran-2-carboxylic acid
C19H14O10 (402.05869440000004)
(1r,4s,5s,6s)-5-[(benzoyloxy)methyl]-4-chloro-5,6-dihydroxycyclohex-2-en-1-yl benzoate
C21H19ClO6 (402.08701040000005)