Exact Mass: 205.0954274
Exact Mass Matches: 205.0954274
Found 500 metabolites which its exact mass value is equals to given mass value 205.0954274,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5-Methoxyindoleacetate
5-Methoxyindoleacetate, also known as 5-methoxy-IAA or 5-MIAA, belongs to the class of organic compounds known as indole-3-acetic acid derivatives. Indole-3-acetic acid derivatives are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole. 5-Methoxyindoleacetic acid is formed through oxidative deamination. It is identified in the urine, and the concentration is determined to be 1.3 µg/mL using GC-MS (PMID: 12908946). An increase in urinary 5-MIAA excretion was shown in patients with cancer of the stomach, rectum, and lung (PMID: 2446428). D006133 - Growth Substances > D010937 - Plant Growth Regulators > D007210 - Indoleacetic Acids 5-methoxyindoleacetic acid(5-MIAA) is formed through oxidative deamination. COVID info from PDB, Protein Data Bank KEIO_ID M078; [MS2] KO009067 KEIO_ID M078 Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS 5-Methoxyindole-3-acetic acid is a metabolite of Melatonin[1].
Indole-3-lactic acid
Indolelactic acid (CAS: 1821-52-9) is a tryptophan metabolite found in human plasma, serum, and urine. Tryptophan is metabolized by two major pathways in humans, either through kynurenine or via a series of indoles, and some of its metabolites are known to be biologically active. Indolelactic acid is present in various amounts, significantly higher in umbilical fetal plasma than in maternal plasma in the protein-bound form (PMID 2361979, 1400722, 3597614, 11060358, 1400722). Indolelactic acid is also a microbial metabolite; urinary indole-3-lactate is produced by Clostridium sporogenes (PMID: 29168502). Indolelactic acid is a tryptophan metabolite found in human plasma and serum and normal urine. Tryptophan is metabolized by two major pathways in humans, either through kynurenine or via a series of indoles, and some of its metabolites are known to be biologically active. Indolelactic acid is present in various amounts, significantly higher in umbilical foetal plasma than in maternal plasma in the protein-bound form. (PMID 2361979, 1400722, 3597614, 11060358, 1400722) [HMDB] Indolelactic acid (Indole-3-lactic acid) is a tryptophan (Trp) catabolite in Azotobacter vinelandii cultures. Indolelactic acid has anti-inflammation and potential anti-viral activity[1][3][4].
tetrahomomethionine
A sulfur-containing amino acid consisting of 2-aminooctanoic acid having a methylthio substituent at the 8-position.
N-Acetyl-D-quinovosamine
D-Quinovosamine acetylated on the amino nitrogen.
Cinnamoylglycine
Cinnamoylglycine is known as a urinary metabolite in man (PMID 649712) although whether it is formed de novo from plant cinnamate or is a plant product excreted. unchanged has not been conclusively demonstrated. When cinnamoylglycine occurs naturally it is probably a food constituent excreted unchanged. It is not found when small quantities (0.5-6 g) of cinnamic acid are fed to man, but by analogy with animal experiments may be produced when much larger quantities are given. (PMID 6743769). Cinnamoylglycine is known as a urinary metabolite in man (PMID 649712) although whether it is formed de novo from plant cinnamate or is a plant product excreted Cinnamoylglycine is a glycine conjugate of cinnamic acid and a urinary metabolite in human. Cinnamoylglycine is used as a potential urinary biomarker indicating intact or disrupted colonization resistance during and after antibiotic treatment[1].
N-Methylcalystegine C1
N-Methylcalystegine C1 is an alkaloid from the roots of Lycium chinense (Chinese boxthorn). Alkaloid from the roots of Lycium chinense (Chinese boxthorn)
Methyl 1-methoxy-1H-indole-3-carboxylate
Methyl 1-methoxy-1H-indole-3-carboxylate is found in herbs and spices. Methyl 1-methoxy-1H-indole-3-carboxylate is produced by Japanese horseradish (Wasabia japonica). Production by Japanese horseradish (Wasabia japonica). Methyl 1-methoxy-1H-indole-3-carboxylate is found in herbs and spices.
Edulitine
Edulitine is found in pomes. Edulitine is an alkaloid from bark of Casimiroa edulis (Mexican apple
1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1,4-pentanedione
Proline-derived Maillard product. Proline-derived Maillard product
Dihydro-2,4-dimethyl-6-(2-methylpropyl)-4H-1,3,5-dithiazine
Dihydro-2,4-dimethyl-6-(2-methylpropyl)-4H-1,3,5-dithiazine is found in mollusks. Dihydro-2,4-dimethyl-6-(2-methylpropyl)-4H-1,3,5-dithiazine is isolated from dried squid aroma. Isolated from dried squid aroma. Dihydro-2,4-dimethyl-6-(2-methylpropyl)-4H-1,3,5-dithiazine is found in mollusks.
Dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-dithiazine
Dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-dithiazine is found in mollusks. Dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-dithiazine is isolated from dried squid aroma. Isolated from dried squid aroma. Dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-dithiazine is found in mollusks.
Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine
Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine is found in mollusks. Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine is isolated from dried squid aroma. Isolated from dried squid aroma. Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine is found in mollusks.
Dihydro-4,6-dimethyl-2-(1-methylpropyl)-4H-1,3,5-dithiazine
Dihydro-4,6-dimethyl-2-(1-methylpropyl)-4H-1,3,5-dithiazine is found in mollusks. Dihydro-4,6-dimethyl-2-(1-methylpropyl)-4H-1,3,5-dithiazine is isolated from dried squid aroma. Isolated from dried squid aroma. Dihydro-4,6-dimethyl-2-(1-methylpropyl)-4H-1,3,5-dithiazine is found in mollusks.
3-Indolehydracrylic acid
3-Indolehydracrylic acid belongs to the family of Indolyl Carboxylic Acids and Derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
N-Propionylmethionine
N-propionylmethionine is classified as a methionine or a Methionine derivative. Methionines are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-propionylmethionine is considered to be a slightly soluble (in water) and a weak acidic compound. N-propionylmethionine can be found in feces.
Methyl oxindole-3-acetate
Isolated from rice bran. Methyl oxindole-3-acetate is found in cereals and cereal products.
Indolelactic acid
Indolelactic acid (Indole-3-lactic acid) is a tryptophan (Trp) catabolite in Azotobacter vinelandii cultures. Indolelactic acid has anti-inflammation and potential anti-viral activity[1][3][4].
3-[(dimethylamino)methyl]-2,3-dihydro-4H-chromen-4-one
N-hydroxy-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboximidamide
Lobendazole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
14,15-dihydro-6-nor-securinan-11-one|4,5-Dihydro-norsecurinin|Virosin|virosine
4-methoxy-7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline
N-(2-hydroxyethyl)-N-methyl-3-phenylprop-2-enamide
1H-Indole-3-acetic acid, 2,3-dihydro-2-oxo-, methyl ester
methyl 2-oxo-1,2,3,4-tetrahydroquinoline-3-carboxylate
Methoxyindoleacetic acid
CONFIDENCE confident structure; IPB_RECORD: 277 IPB_RECORD: 277; CONFIDENCE confident structure
CBDZ-M
CONFIDENCE Probable structure via diagnostic evidence, tentative identification (Level 2b); ALGAE_TP_ID 2701 C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
N-Cinnamoylglycine
An N-acylglycine in which the acyl group is specified as (2E)-3-phenylprop-2-enoyl (cinnamoyl). MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; YAADMLWHGMUGQL-VOTSOKGWSA-N_STSL_0224_N-Cinnamoylglycine_0500fmol_190325_S2_LC02MS02_008; 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.
Cinnamoylglycine
Cinnamoylglycine is a glycine conjugate of cinnamic acid and a urinary metabolite in human. Cinnamoylglycine is used as a potential urinary biomarker indicating intact or disrupted colonization resistance during and after antibiotic treatment[1].
2,4-dimethyl-6-(2-methylpropyl)-1,3,5-dithiazinane
2-Isobutyl-4,6-dimethyl-1,3,5-dithiazinane
4-(butan-2-yl)-2,6-dimethyl-1,3,5-dithiazinane
2-(butan-2-yl)-4,6-dimethyl-1,3,5-dithiazinane
1,2,3,4-tetrahydro-4,4-dimethylquinoline-6-carboxylic acid
2-Methyl-2-propanyl 3-(chloromethyl)-1-azetidinecarboxylate
C9H16ClNO2 (205.08695060000002)
5,6,7,8-tetrahydro-N-methylnaphtho[2,3-d][1,3]dioxol-6-amine HCl
METHYL 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE-2-CARBOXYLATE
4-[(3-ETHOXY-3-OXOPROPYL)CARBAMOYL]BENZENEBORONIC ACID
3-(dimethylamino)-1-(4-methoxyphenyl)prop-2-en-1-one
Methyl 2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylate
2-Methyl-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester
1H-1-Benzazepine-6,7-dione, 2,5-dihydro-9-methoxy- (9CI)
1H-Benz[e]isoindole-6,7-diol, 2,3,3a,4,5,9b-hexahydro- (9CI)
1,2,3,4-TETRAHYDROQUINOLINE-4-CARBOXYLIC ACID ETHYL ESTER
tert-Butyl 3-chloropyrrolidine-1-carboxylate
C9H16ClNO2 (205.08695060000002)
1,2,3,4-Tetrahydro-1-isoquinoline carboxylic acid ethyl ester
Propanoic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]oxy]- (9CI)
1-(6-METHYL-4-(TRIFLUOROMETHYL)PYRID-2-YL)-1-METHYLHYDRAZINE
C8H10F3N3 (205.08267759999998)
(2-methyl-2,3-dihydro-1H-indol-1-yl)(oxo)acetic acid
2-Amino-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
(1R,2S,5S)-6,6-dimethyl-3-aza-bicyclo[3.1.0]hexane-2-carboxylic acid methyl ester hydrochloride
C9H16ClNO2 (205.08695060000002)
3-(1-OXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL)PROPANOIC ACID
[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
1-CYCLOPROPYL-PIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
C9H16ClNO2 (205.08695060000002)
1-ALLYL-PIPERIDINE-4-CARBOXYLIC ACID HYDROCHLORIDE
C9H16ClNO2 (205.08695060000002)
(1-Cyclopropylmethyl)pyrrolidine-2-carboxylic acid hydrochloride
C9H16ClNO2 (205.08695060000002)
(s)-2-isocyanato-3-phenylpropionic acid methyl ester
Ethyl 5-aminopyrazolo[1,5-a]pyridine-3-carboxylate
4-(4-METHOXYPHENYL)-5-METHYL-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE
(R)-1-AMINO-2,2-DIMETHYLCYCLOPROPANECARBOXYLICACID
2-[(1s)-2-hydroxy-1-methylethyl]-1h-isoindole-1,3(2h)-dione
Ethyl 2-amino-1H-benzo[d]imidazole-6-carboxylate
4-HYDROXY-2-OXO-1,2-DIHYDRO-QUINOLINE-3-CARBOXYLIC ACID
2-Hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid
1-nitro-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-one
(4S)-N-(TERT-BUTYLDIMETHYLSILYL)AZETIDIN-2-ONE-4-CARBOXYLICACID
3-chloro-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
C9H16ClNO2 (205.08695060000002)
methyl 3-(aminomethyl)-2,3-dihydro-1H-indene-1-carboxylate
(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
ethyl trans-2-amino-4-cyclohexene-1-carboxylate hydrochloride
C9H16ClNO2 (205.08695060000002)
TRANS-4-(O-TOLYL)PYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
(3S,4S)-TERT-BUTYL 3-FLUORO-4-HYDROXYPYRROLIDINE-1-CARBOXYLATE
ethyl cis-2-amino-4-cyclohexene-1-carboxylate hydrochloride
C9H16ClNO2 (205.08695060000002)
tetrahydro-5-(2-hydroxyethyl)-1,3-bis(hydroxymethyl)-1,3,5-triazin-2(1H)-one
1-Naphthalenamine,N-hydroxy-N-nitroso-, ammonium salt (1:1)
1H-1-Benzazepine,2,3,4,5-tetrahydro-1-(1-thioxoethyl)- (9CI)
2-benzofurancarboxylic acid, 6-amino-, ethyl ester
Benzenamine, 3-methoxy-5-(5-methyl-1H-tetrazol-1-yl)- (9CI)
3-PYRIDINECARBOXYLIC ACID 1,2,5,6-TETRAHYDRO-1-METHYL ETHYL ESTER MONOHYDROCHLORIDE
C9H16ClNO2 (205.08695060000002)
ETHYL1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLATE
ETHYL 1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLATE
1H-2-Benzazepin-1-one,2-ethyl-2,3,4,5-tetrahydro-7-hydroxy-(9CI)
1H-Pyrrolo[2,3-b]pyridine-2-carboxylicacid,3-amino-,ethylester(9CI)
1,2,4,5-TETRAHYDRO-BENZO[D]AZEPINE-3-CARBOXYLIC ACID METHYL ESTER
N-methoxy-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
4-phenyl-pyrrolidine-3-carboxylic acid methyl ester
6-Methyl-2-oxa-7-azaspiro[4.5]decan-1-one hydrochloride (1:1)
C9H16ClNO2 (205.08695060000002)
1H-Benzimidazole-2-carboxylicacid,5-amino-,ethylester(9CI)
1H-Benzimidazole-5-carboxylicacid,6-amino-,ethylester(9CI)
2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)pyrrolidine
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 6-amino-, ethyl ester
Ethyl 2-methyl-imidazole[1,2-a]pyrimidine 3-carboxylate
4-Aminobicyclo[2.2.2]octane-1-carboxylic acid hydrochloride
C9H16ClNO2 (205.08695060000002)
Ethyl 1-methyl-1H-benzo[d][1,2,3]triazole-5-carboxylate
3-(3-aminophenyl)-5-methylimidazolidine-2,4-dione(SALTDATA: FREE)
4-AMINO-2-(4-MORPHOLINYL)-5-PYRIMIDINECARBONITRILE
3-(2-Aminoethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid
methyl 8-azabicyclo[3.2.1]octane-3-carboxylate hydrochloride
C9H16ClNO2 (205.08695060000002)
(2E)-4-(1-Piperidinyl]-2-butenoic acid hydrochloride
C9H16ClNO2 (205.08695060000002)
3-Quinolinecarboxylic acid, 1,2,3,4-tetrahydro-, ethyl ester
1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid ethyl ester
(1S,2S,4R)-ETHYL 7-AZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE HYDROCHLORIDE
C9H16ClNO2 (205.08695060000002)
Spiro[1H-indene-1,3-pyrrolidine]-5,6-diol, 2,3-dihydro- (9CI)
(2S,3aR,7aS)-1H-Octahydroindole-2-carboxylic acid hydrochloride
C9H16ClNO2 (205.08695060000002)
Imidazo[1,2-a]pyrimidin-2-yl-acetic acidethylester
methyl 8-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate
3-[5-(TERT-BUTYL)-2-METHYL-3-FURYL]-3-OXOPROPANENITRILE
Spiro[1H-indene-1,3-pyrrolidine]-4,5-diol, 2,3-dihydro- (9CI)
3,5-Piperidinedicarbonitrile,4-ethyl-4-methyl-2,6-dioxo-
SQ22536
D004791 - Enzyme Inhibitors > D000067956 - Adenylyl Cyclase Inhibitors SQ22536 is an effective adenylate cyclase (AC) inhibitor.
2-Oxiranemethanamine,N-(2-oxiranylmethyl)-N-phenyl-
Ethyl 4-aminopyrazolo[1,5-a]pyridine-3-carboxylate
{2-[(1,3-Dimethyl-1H-pyrazol-5-yl)-methoxy]ethyl}amine hydrochloride
2-Butenoic acid, 4-(1-piperidinyl)-, hydrochloride (1:1), (2E)-
C9H16ClNO2 (205.08695060000002)
2-PIPERIDINECARBOXYLIC ACID, 6-PHENYL-, (2R,6S)-REL-
DIISOPROPYL CYANOMETHYLPHOSPHONATE
C8H16NO3P (205.08677559999998)
METHYL 3-QUINUCLIDINECARBOXYLATE HYDROCHLORIDE
C9H16ClNO2 (205.08695060000002)
TRANS-4-(M-TOLYL)PYRROLIDINE-3-CARBOXYLIC ACID HYDROCHLORIDE
1-[(2-fluorophenyl)methyl]-5-methylpyrazol-3-amine
2-(trifluoromethyl)-5,6,7,8-tetrahydro-8-methylimidazo[1,2-a]pyrazine
C8H10F3N3 (205.08267759999998)
1-METHYL-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINE
C8H10F3N3 (205.08267759999998)
2-HYDROXY-N-(1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL)ACETAMIDE
1H-Imidazo[4,5-b]pyridine-5-carboxylicacid,2-ethyl-7-methyl-(9CI)
2-(4-METHOXYPHENYL)-4,4-DIMETHYL-4,5-DIHYDRO-1,3-OXAZOLE
C-(4-FLUORO-PHENYL)-C-(1-METHYL-1H-IMIDAZOL-2-YL)-METHYLAMINE
2-ETHYL-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID
2-amino-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
C8H10F3N3 (205.08267759999998)
Methyl (2R)-2-acetamido-4-(methylsulfanyl)butanoate
L-tetrahomomethionine
An L-polyhomomethionine in which there are six methylene groups between the alpha-carbon and sulfur atoms.
N-[(2S,3R,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
(E)-alpha-monofluoromethyl-3,4-dehydroarginine
C7H14FN4O2+ (205.11007360000002)
2-(3-{3-[(1E)-prop-1-en-1-yl]oxiran-2-yl}oxiran-2-yl)-5,6-dihydropyridine
3-(4-methoxyphenyl)-1-methyl-1H-1,2,4-triazol-5-ol
Tryptophanium
C11H13N2O2+ (205.09769780000002)
An alpha-amino-acid cation that is the conjugate acid of tryptophan, arising from protonation of the alpha-amino group.
(2S)-2-amino-5-[hydroxy(methylcarbamoyl)amino]pentanoic acid
L-tetrahomomethionine zwitterion
An L-polyhomomethionine zwitterion obtained by transfer of a proton from the carboxy to the amino group of L-tetrahomomethionine; major species at pH 7.3.
1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1,4-pentanedione
S-methyl-L-thiocitrulline
An L-arginine derivative in which the guanidino NH2 group of L-arginine is replaced by a methylsufanyl group.
tetrahomomethionine zwitterion
Zwitterionic form of tetrahomomethionine.
3-Dimethylallyl-4-hydroxybenzoate
A monohydroxybenzoate that is the conjugate base of 3-dimethylallyl-4-hydroxybenzoic acid, obtained by deprotonation of the carboxy group.