Exact Mass: 149.0005456
Exact Mass Matches: 149.0005456
Found 307 metabolites which its exact mass value is equals to given mass value 149.0005456,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Benzyl isothiocyanate
Benzyl isothiocyanate, also known as alpha-isothiocyanatotoluene or isothiocyanic acid, benzyl ester, belongs to benzene and substituted derivatives class of compounds. Those are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzyl isothiocyanate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Benzyl isothiocyanate is a mild, dusty, and horseradish tasting compound and can be found in a number of food items such as cabbage, garden onion, garden cress, and papaya, which makes benzyl isothiocyanate a potential biomarker for the consumption of these food products. Benzyl isothiocyanate (BITC) is an isothiocyanate found in plants of the mustard family . Benzyl isothiocyanate is an isothiocyanate and a member of benzenes. It has a role as an antibacterial drug. Benzyl isothiocyanate is a natural product found in Erucaria microcarpa, Simicratea welwitschii, and other organisms with data available. See also: Lepidium meyenii root (part of). Benzyl isothiocyanate is found in brassicas. Benzyl isothiocyanate is isolated from Tropaeolum majus (garden nasturtium) and Lepidium sativum (garden cress), also in other plants especially in the Cruciferae. Potential nutriceutical. Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2]. Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2].
3-Hydroxyaspartic acid
A hydroxy-amino acid that is aspartic acid in which one of the methylene hydrogens has been replaced by a hydroxy group. D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids KEIO_ID H086
3-Hydroxy-2-oxoindole
3-Hydroxy-2-oxoindole is an oxidized indole derivative. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. 3-hydroxy-2-oxoindole is a naturally occurring indole metabolite found in human urine (PMID: 11722560). It is a reduced form of the more abundant naturally occurring indole metabolite known as isatin (which is derived from the gut microbial metabolism of tryptophan). 3-hydroxy-2-oxoindole is generated via the activity of the enzyme known as isatin reductase, which is found in the liver and kidney (PMID: 11722560). It exhibits modest monoamine oxidase A and B inhibitory activity. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors
Benzyl thiocyanate
Benzyl thiocyanate is found in brassicas. Benzyl thiocyanate is isolated from Lepidium sativum (garden cress) as a benzyl glucosinolate (see Benzyl glucosinolate
5,6-Dihydroxyindole
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065098 - Catechol O-Methyltransferase Inhibitors 5,6-Dihydroxyindole is a substrate for Tyrosinase. [HMDB] 5,6-Dihydroxyindole is a substrate for Tyrosinase.
Nereistoxin
D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
Diethyldithiocarbamic acid
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D064449 - Sequestering Agents > D002614 - Chelating Agents C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D007155 - Immunologic Factors
(S)-4-Hydroxymandelonitrile
(s)-4-hydroxymandelonitrile, also known as (2s)-hydroxy(4-hydroxyphenyl)acetonitrile, is a member of the class of compounds known as 1-hydroxy-2-unsubstituted benzenoids. 1-hydroxy-2-unsubstituted benzenoids are phenols that a unsubstituted at the 2-position (s)-4-hydroxymandelonitrile is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (s)-4-hydroxymandelonitrile can be found in a number of food items such as persian lime, common salsify, climbing bean, and vaccinium (blueberry, cranberry, huckleberry), which makes (s)-4-hydroxymandelonitrile a potential biomarker for the consumption of these food products. This compound belongs to the family of Benzyl Cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group
NSC 139979
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
2-Methylbenzothiazole
Known as an aroma constituent of tea leaves. 2-Methylbenzothiazole is found in tea. 2-Methylbenzothiazole is found in tea. Known as an aroma constituent of tea leaves.
(3-Nitroamino)alanine
(3-Nitroamino)alanine is found in mushrooms. (3-Nitroamino)alanine is isolated from Agaricus silvaticus (red staining mushroom
Dihydro-4,6-dimethyl-4H-1,3,5-dithiazine
Dihydro-4,6-dimethyl-4H-1,3,5-dithiazine is present in meat aromas. Present in meat aromas
NAPQI
NAPQI is a metabolite of acetaminophen. NAPQI (N-acetyl-p-benzoquinone imine) is a toxic byproduct produced during the xenobiotic metabolism of the analgesic paracetamol (acetaminophen). It is normally produced only in small amounts, and then almost immediately detoxified in the liver. However, under some conditions in which NAPQI is not effectively detoxified (usually in case of paracetamol overdose), it causes severe damage to the liver. (Wikipedia)
3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine
3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine is classified as a member of the Benzothiazines. Benzothiazines are organic compounds containing a benzene fused to a thiazine ring (a six-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom). 3,5-dihydroxy-3,4-dihydro-1,4-benzothiazine is considered to be slightly soluble (in water) and basic
3-(2-Chloroethyl)oxazolidin-2-one
D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
3-Chloro-4,4-dimethyl-2-oxazolidinone
D000890 - Anti-Infective Agents > D023303 - Oxazolidinones
5-Chloro-2-methyl-4-isothiazolin-3-one
D000890 - Anti-Infective Agents D004202 - Disinfectants
5-Hydroxyoxindole
5-Hydroxyoxindole is a structural analog of uric acid. 5-Hydroxyoxindole has DPPH radical scavenging activities and lipid peroxidation-inhibitory activities. 5-Hydroxyoxindole can be used for the research of oxidative stress-mediated disorders[1]. 5-Hydroxyoxindole is a structural analog of uric acid. 5-Hydroxyoxindole has DPPH radical scavenging activities and lipid peroxidation-inhibitory activities. 5-Hydroxyoxindole can be used for the research of oxidative stress-mediated disorders[1].
(S)-2-Amino-3-(hydroxy(nitroso)amino)propanoic acid
threo-hydroxyaspartic acid
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
2H-1,4-Benzoxazin-3(4H)-one
2h-1,4-benzoxazin-3(4h)-one is a member of the class of compounds known as benzoxazinones. Benzoxazinones are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group. 2h-1,4-benzoxazin-3(4h)-one is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2h-1,4-benzoxazin-3(4h)-one can be found in corn, which makes 2h-1,4-benzoxazin-3(4h)-one a potential biomarker for the consumption of this food product.
Benzyl isothiocyanate
Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2]. Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2].
p-Hydroxymandelonitrile
Trans-2,3-dehydroacyl-coa, also known as alpha,4-dihydroxybenzeneacetonitrile or para-hydroxymandelonitrile, is a member of the class of compounds known as 1-hydroxy-2-unsubstituted benzenoids. 1-hydroxy-2-unsubstituted benzenoids are phenols that a unsubstituted at the 2-position. Trans-2,3-dehydroacyl-coa is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-2,3-dehydroacyl-coa can be found in sorghum, which makes trans-2,3-dehydroacyl-coa a potential biomarker for the consumption of this food product. Trans-2,3-dehydroacyl-coa may be a unique E.coli metabolite.
5-Chloro-2-methyl-4-isothiazolin-3-one
D000890 - Anti-Infective Agents D004202 - Disinfectants CONFIDENCE standard compound; EAWAG_UCHEM_ID 280 CONFIDENCE standard compound; INTERNAL_ID 2141
2-methoxy-4-cyanophenol|3-Me ether,nitrile-3,4-Dihydroxybenzoic acid|3-methoxy-4-hydroxybenzonitrile|4-cyano-2-methoxyphenol|4-hydroxy-3-methoxy-benzonitrile|4-hydroxy-3-methoxybenzonitrile|vanillin nitrile|vanillinonitrile
Nitrile-(()-2-Hydroxy-2-(3-hydroxyphenyl)acetic acid|Nitrile-2-Hydroxy-2-(3-hydroxyphenyl)acetic acid
Alanosine
D064449 - Sequestering Agents > D002614 - Chelating Agents D000970 - Antineoplastic Agents C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2168 - Adenylosuccinate Synthetase Inhibitor
5-Hydroxyoxindole
5-Hydroxyoxindole is a natural product found in Isatis tinctoria with data available. 5-Hydroxyoxindole is a structural analog of uric acid. 5-Hydroxyoxindole has DPPH radical scavenging activities and lipid peroxidation-inhibitory activities. 5-Hydroxyoxindole can be used for the research of oxidative stress-mediated disorders[1]. 5-Hydroxyoxindole is a structural analog of uric acid. 5-Hydroxyoxindole has DPPH radical scavenging activities and lipid peroxidation-inhibitory activities. 5-Hydroxyoxindole can be used for the research of oxidative stress-mediated disorders[1].
Methylchloroisothiazolinone
CONFIDENCE standard compound; INTERNAL_ID 2871 D000890 - Anti-Infective Agents D004202 - Disinfectants CONFIDENCE standard compound; INTERNAL_ID 8819
3,3,3-Trifluoropropan-1-amine hydrochloride
C3H7ClF3N (149.02190879999998)
1,1,1-Trifluoro-2-propanamine hydrochloride (1:1)
C3H7ClF3N (149.02190879999998)
[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amine hydrochloride
Thieno[2,3-b]pyridine, 4-methyl- (6CI,7CI,8CI,9CI)
2,2,2-TRIFLUORO-N-METHYLETHANAMINE HYDROCHLORIDE
C3H7ClF3N (149.02190879999998)
(4-METHYL-1,2,5-OXADIAZOL-3-YL)METHANAMINE HYDROCHLORIDE
2-Formylbenzoate
A benzoate anion arising from deprotonation of the carboxy group of 2-formylbenzoic acid; major species at pH 7.3.
beta-Hydroxyaspartic acid
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
3416-18-0
5-Hydroxyoxindole is a structural analog of uric acid. 5-Hydroxyoxindole has DPPH radical scavenging activities and lipid peroxidation-inhibitory activities. 5-Hydroxyoxindole can be used for the research of oxidative stress-mediated disorders[1]. 5-Hydroxyoxindole is a structural analog of uric acid. 5-Hydroxyoxindole has DPPH radical scavenging activities and lipid peroxidation-inhibitory activities. 5-Hydroxyoxindole can be used for the research of oxidative stress-mediated disorders[1].
Urogran
Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2]. Benzyl isothiocyanate is a member of natural isothiocyanates with antimicrobial activity[1][2]. Benzyl isothiocyanate potent inhibits cell mobility, migration and invasion nature and matrix metalloproteinase-2 (MMP-2) activity of murine melanoma cells[2].
DL-Threo-beta-Hydroxyaspartic Acid
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
Phenylglyoxylate
A member of the class of glyoxylates, that is obtained by removal of a proton from the carboxylic acid group of phenylglyoxylic acid. D000890 - Anti-Infective Agents > D000892 - Anti-Infective Agents, Urinary > D008333 - Mandelic Acids
4-FORMYLBENZOate
A benzoate that is the conjugate base of 4-formylbenzoic acid arising from the deprotonation of the carboxy group; Major microspecies at pH 7.3.
2-Deoxy-D-ribonate
A member of the class of ribonates that is the conjugate base of 2-deoxy-D-ribonic acid.
(2S)-2-azaniumyl-3-[hydroxy(nitroso)amino]propanoate
3-hydroxy-D-aspartic acid
A 3-hydroxyaspartic acid that has R configuration at the carbon bearing the amino group.
5,6-Dihydroxyindole
D002491 - Central Nervous System Agents > D018726 - Anti-Dyskinesia Agents > D000978 - Antiparkinson Agents D004791 - Enzyme Inhibitors > D065098 - Catechol O-Methyltransferase Inhibitors
Diethyldithiocarbamic acid
D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D064449 - Sequestering Agents > D002614 - Chelating Agents C308 - Immunotherapeutic Agent > C2139 - Immunostimulant D007155 - Immunologic Factors
(3R)-3-hydroxy-L-aspartic acid
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
(3R)-3-hydroxy-D-aspartic acid
A 3-hydroxy-D-aspartic acid in which the carbon bearing the hydroxy substituent has R configuration.
(3S)-3-hydroxy-D-aspartic acid
A 3-hydroxy-D-aspartic acid in which the carbon bearing the hydroxy substituent has S configuration.
L-2-amino-4-chloropent-4-enoic acid
An alpha-amino acid having a 2-chloro-2-propenyl group at the alpha-position and L-configuration.
Dioxindole
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D004791 - Enzyme Inhibitors > D008996 - Monoamine Oxidase Inhibitors
L-2-amino-4-chloropent-4-enoic acid zwitterion
An L-alpha-amino acid zwitterion obtained from L-2-amino-4-chloropent-4-enoic acid by transfer of a proton from the carboxy group to the amino group. It is the major species at pH 7.3.
3-Hydroxy-L-aspartic acid
A 3-hydroxyaspartic acid that has S configuration at the carbon bearing the amino group.
Nereistoxin
Toxin isolated from marine segmented worm, Lumbriconereis heterodopa. It is also the active insecticide of the proinsecticide thiocyclam. D009676 - Noxae > D011042 - Poisons > D008387 - Marine Toxins
3-carboxy-2,3-dihydroxypropanoate
A tartaric acid anion that is the conjugate base of 2,3-dihydroxybutanedioic acid.
(3S)-3-hydroxy-L-aspartic acid
The (3S)-diastereomer of 3-hydroxy-L-aspartic acid.