Exact Mass: 161.0407516
Exact Mass Matches: 161.0407516
Found 225 metabolites which its exact mass value is equals to given mass value 161.0407516,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Indole-3-carboxylic acid
Indole-3-carboxylic acid, also known as 3-carboxyindole or 3-indolecarboxylate, belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. Indolecarboxylic acids and derivatives are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole. Naphthylmethylindoles: Any compound containing a 1H-indol-3-yl-(1-naphthyl)methane structure with substitution at the nitrogen atom of the indole ring by an alkyl, haloalkyl, alkenyl, cycloalkylmethyl, cycloalkylethyl, 1-(N-methyl-2-piperidinyl)methyl, or 2-(4-morpholinyl)ethyl group whether or not further substituted in the indole ring to any extent and whether or not substituted in the naphthyl ring to any extent. One example given is JWH-250. Outside of the human body, indole-3-carboxylic acid has been detected, but not quantified in several different foods, such as brassicas, broccoli, pulses, common beets, and barley. This could make indole-3-carboxylic acid a potential biomarker for the consumption of these foods. Notice the pentyl group substituted onto the nitrogen atom of the indole ring. Note that this definition encompasses only those compounds that have OH groups attached to both the phenyl and the cyclohexyl rings, and so does not include compounds such as O-1871 which lacks the cyclohexyl OH group, or compounds such as JWH-337 or JWH-344 which lack the phenolic OH group. Present in plants, e.g. apple (Pyrus malus), garden pea (Pisum sativum) and brassicas Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2]. Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2].
2,8-Quinolinediol
2,8-Quinolinediol, also known as quinoline-2,8-diol or 8-hydroxycarbostyril, belongs to the class of organic compounds known as quinolones and derivatives. Quinolones and derivatives are compounds containing a quinoline moiety that bears a ketone group. 2,8-Quinolinediol has been identified in urine (PMID: 30089834).
N-Formyl-L-aspartate
This compound belongs to the family of Dicarboxylic Acids and Derivatives. These are organic compounds containing exactly two carboxylic acid groups KEIO_ID F022
Quinoline-4,8-diol
This compound belongs to the family of Hydroxyquinolines. These are compounds containing a quinoline moiety bearing an hydroxyl group. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4,6-Dihydroxyquinoline
4,6-Dihydroxyquinoline is the product of the conversion of 5-hydroxykynurenamine by the enzyme monoamine oxidase, both metabolites from the 5-hydroxytryptophan metabolism. (PMIDs 7160021, 312499) [HMDB] 4,6-Dihydroxyquinoline is the product of the conversion of 5-hydroxykynurenamine by the enzyme monoamine oxidase, both metabolites from the 5-hydroxytryptophan metabolism. (PMIDs 7160021, 312499). COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Indolecarboxylic acid
2-Indolecarboxylic acid is a strong inhibitor of lipid peroxidation, similar to melatonin and some structurally related indole compounds. Lipid peroxidation with tert-butyl hydroperoxide is a source of free radicals (PMID 12236544). 2-Indolecarboxylic acid is a phenolic components known to exist in Korean ginseng (Koryo Insam Hakhoechi (1996), 20(3), 284-290) and brown rice (Hanguk Nonghwa Hakhoechi (1995), 38(5), 478-83). 2-Indolecarboxylic acid is a strong inhibitor of lipid peroxidation, similar to melatonin and some structurally related indole compounds. COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Indole-2-carboxylic acid is a strong inhibitor of lipid peroxidation. Indole-2-carboxylic acid (I2CA) specifically and competitively inhibits the potentiation by glycine of NMDA-gated current[1][2]. Indole-2-carboxylic acid is a strong inhibitor of lipid peroxidation. Indole-2-carboxylic acid (I2CA) specifically and competitively inhibits the potentiation by glycine of NMDA-gated current[1][2].
Erucin
Occurs in seeds of salad rocket. Erucin is found in many foods, some of which are brassicas, cabbage, kohlrabi, and white cabbage. Erucin is found in brassicas. Erucin occurs in seeds of salad rocket.
3-Formyl-6-hydroxyindole
3-Formyl-6-hydroxyindole is found in mushrooms. 3-Formyl-6-hydroxyindole is an alkaloid from the edible mushroom Agrocybe cylindrace
1-Thiocyanato-4-(methylthio)butane
1-Thiocyanato-4-(methylthio)butane is found in brassicas. 1-Thiocyanato-4-(methylthio)butane is isolated from Eruca sativa (rocket). Isolated from Eruca sativa (rocket). 1-Thiocyanato-4-(methylthio)butane is found in brassicas.
A-Ketoglutaric acid oxime
A-Ketoglutaric acid oxime, also known as a-ketoglutarate oxime or 2-oxime-(8ci)-2-oxoglutarate, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
1,5-Isoquinolinediol
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
2-keto-3-deoxy-L-rhamnonate
2-keto-3-deoxy-l-rhamnonate, also known as kdr or 2-dehydro-3,6-dideoxy-L-mannonate, belongs to medium-chain keto acids and derivatives class of compounds. Those are keto acids with a 6 to 12 carbon atoms long side chain. 2-keto-3-deoxy-l-rhamnonate is soluble (in water) and a weakly acidic compound (based on its pKa). 2-keto-3-deoxy-l-rhamnonate can be found in a number of food items such as red beetroot, evergreen huckleberry, winter squash, and pepper (c. pubescens), which makes 2-keto-3-deoxy-l-rhamnonate a potential biomarker for the consumption of these food products.
1,5-isoquinolinediol
D000970 - Antineoplastic Agents > D000067856 - Poly(ADP-ribose) Polymerase Inhibitors D004791 - Enzyme Inhibitors
5-carboxyindole
An indolecarboxylic acid in which the carboxy group is the only substituent and is located at position 5.
Jineol
A dihydroxyquinoline that is quinoline substituted by hydroxy groups at positions 3 and 8. Isolated from the centipede Scolopendra subspinipes, it exhibits cytotoxic activity against human tumour cell lines. Jineol is a cytotoxic alkaloid from the centipede Scolopendra subspinipes. Jineol exhibits modest cytotoxic activity in vitro against the growth of human tumor cell lines[1].
4-HO-I3CHO
4-hydroxyindole-3-carbaldehyde is a heteroarenecarbaldehyde that is 4-hydroxyindole in which the hydrogen at position 3 has been replaced by a formyl group. It has a role as a plant metabolite. It is a member of hydroxyindoles and a heteroarenecarbaldehyde. 4-hydroxy-1H-indole-3-carbaldehyde is a natural product found in Arabidopsis thaliana with data available. A heteroarenecarbaldehyde that is 4-hydroxyindole in which the hydrogen at position 3 has been replaced by a formyl group. 4-Hydroxy-1H-indole-3-carbaldehyde is a plant metabolite found in Capparis spinosa L.. 4-Hydroxy-1H-indole-3-carbaldehyde can be used in the synthesis of fluorescent probe[1][2]. 4-Hydroxy-1H-indole-3-carbaldehyde is a plant metabolite found in Capparis spinosa L.. 4-Hydroxy-1H-indole-3-carbaldehyde can be used in the synthesis of fluorescent probe[1][2].
1H-Indole-3-carboxylic acid
IPB_RECORD: 302; CONFIDENCE confident structure CONFIDENCE confident structure; IPB_RECORD: 302
3-Indolecarboxylic acid
An indole-3-carboxylic acid carrying a carboxy group at position 3. Acquisition and generation of the data is financially supported in part by CREST/JST. IPB_RECORD: 2301; CONFIDENCE confident structure Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2]. Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2].
Indole-3-carboxylic_acid
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Indole-3-carboxylic acid
MS2 deconvoluted using MS2Dec from all ion fragmentation data, MetaboLights identifier MTBLS1040; KMAKOBLIOCQGJP-UHFFFAOYSA-N_STSL_0237_Indole-3-carboxylic acid_4000fmol_190403_S2_LC02MS02_082; 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.
Indole-2-carboxylic acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Indole-2-carboxylic acid is a strong inhibitor of lipid peroxidation. Indole-2-carboxylic acid (I2CA) specifically and competitively inhibits the potentiation by glycine of NMDA-gated current[1][2]. Indole-2-carboxylic acid is a strong inhibitor of lipid peroxidation. Indole-2-carboxylic acid (I2CA) specifically and competitively inhibits the potentiation by glycine of NMDA-gated current[1][2].
2-(1,2,4-triazol-1-yl)ethanimidamide,hydrochloride
6-(2H-1,2-oxazol-5-ylidene)cyclohexa-2,4-dien-1-one
N,N-dimethyl-1-prop-2-enylsulfanyl-methanethioamide
4-Hydroxy-1H-indole-3-carbaldehyde
4-Hydroxy-1H-indole-3-carbaldehyde is a plant metabolite found in Capparis spinosa L.. 4-Hydroxy-1H-indole-3-carbaldehyde can be used in the synthesis of fluorescent probe[1][2]. 4-Hydroxy-1H-indole-3-carbaldehyde is a plant metabolite found in Capparis spinosa L.. 4-Hydroxy-1H-indole-3-carbaldehyde can be used in the synthesis of fluorescent probe[1][2].
771-50-6
Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2]. Indole-3-carboxylic acid is a normal urinary indolic tryptophan metabolite and has been found elevated in patients with liver diseases[1][2].
3-Hydroxy-3-methylglutarate(1-)
A dicarboxylic acid monoanion resulting from the removal of a proton from one of the carboxylic acid groups of 3-hydroxy-3-methylglutaric acid.
4,6-Quinolinediol
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
For-Asp-OH
A N-formyl amino acid that is the N-formyl-derivative of L-aspartic acid.
4,8-Quinolinediol
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
4-trifluoromethylaniline
A substituted aniline that is a benzene ring substituted with an amino group at position 1 and a trifluoromethyl group at position 4.
4-hydroxy-L-glutamate(2-)
A doubly-charged L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of 4-hydroxy-L-glutamic acid.
3-hydroxy-L-glutamate(2-)
A doubly-charged L-alpha-amino acid anion resulting from deprotonation of both carboxy groups of 3-hydroxy-L-glutamic acid.
Quinoline-4,6-diol
Quinoline substituted by hydroxy groups at the 4- and 6-positions. It is the product of 5-hydroxytryptophan metabolism, via monoamine oxidase catalysed conversion of 5-hydroxykynurenamine.