Exact Mass: 190.055
Exact Mass Matches: 190.055
Found 500 metabolites which its exact mass value is equals to given mass value 190.055,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
4-Nitroquinoline N-oxide
CONFIDENCE standard compound; INTERNAL_ID 2518 CONFIDENCE standard compound; INTERNAL_ID 8294 CONFIDENCE standard compound; INTERNAL_ID 37 D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Carglumic acid
Carglumic acid is an orphan drug used for the treatment of hyperammonaemia in patients with N-acetylglutamate synthase deficiency. This rare genetic disorder results in elevated blood levels of ammonia, which can eventually cross the blood-brain barrier and cause neurologic problems, cerebral edema, coma, and death. Carglumic acid was approved by the U.S. Food and Drug Administration (FDA) on 18 March 2010. A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives C78275 - Agent Affecting Blood or Body Fluid KEIO_ID C078
3-Dehydroquinic acid
3-Dehydroquinic acid belongs to the class of organic compounds known as alpha-hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon. 3-Dehydroquinic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). In most organisms, 3-dehydroquinic acid is synthesized from D-erythrose-4-phosphate in two steps. However, archaea genomes contain no orthologs for the genes that encode these first two steps. Instead, archaeabacteria appear to utilize an alternative pathway in which 3-dehydroquinic acid is synthesized from 6-deoxy-5-ketofructose-1-phosphate and L-aspartate-semialdehyde. These two compounds are first condensed to form 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate, which cyclizes to 3-dehydroquinic acid. From 3-dehydroquinic acid and on to chorismate, the archaeal pathway appears to be identical to the bacterial pathway. In most organisms, 3-dehydroquinate is synthesized from D-erythrose-4-phosphate in two steps . However, the genomes of the archaea contain no orthologs for the genes that encode these first two steps. Instead, archaeabacteria appear to utilize an alternative pathway in which 3-dehydroquinate is synthesized from 6-deoxy-5-ketofructose-1-phosphate and L-aspartate-semialdehyde . These two compounds are first condensed to form 2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate , which cyclizes to 3-dehydroquinate . From 3-dehydroquinate and on to chorismate , the archaeal pathway appears to be identical to the bacterial pathway [HMDB]. 3-Dehydroquinate is found in many foods, some of which are allium (onion), cashew nut, american cranberry, and common wheat.
L-alpha-Amino-gamma-oxalylaminobutyric acid
A monocarboxylic acid amide obtained by the formal condensation of the amino group at position 4 of L-2,4-diaminobutyric acid with the carboxy group of oxalic acid.
7-Ethoxycoumarin
7-Ethoxycoumarin is a substrate for cytochrome P450(CYP450) and has been used in the functional characterization of various CYPs[1]. 7-Ethoxycoumarin is a substrate for cytochrome P450(CYP450) and has been used in the functional characterization of various CYPs[1].
Coixinden A
Constituent of Coix lacrima-jobi variety ma-yuen. Coixinden A is found in tea, alcoholic beverages, and coffee and coffee products. Coixinden A is found in alcoholic beverages. Coixinden A is a constituent of Coix lacrima-jobi var. ma-yuen.
Avenalumic acid
Avenalumic acid is found in cereals and cereal products. Avenalumic acid is a constituent of oats (Avena sativa). Constituent of oats (Avena sativa). Avenalumic acid is found in oat and cereals and cereal products.
L-beta-aspartyl-L-glycine
L-beta-aspartyl-l-glycine is a proteolytic breakdown product of larger proteins. It belongs to the family of Acyl Glycines. These are organic compounds containing a glycine residue with the N-atom attached to another moiety through an N-ester bond. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of larger proteins. [HMDB]
Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate
Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate is found in mushrooms. Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate is isolated from Camarophyllus virgineus (snowy waxcap). Isolated from Camarophyllus virgineus (snowy waxcap). Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate is found in mushrooms.
7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one
7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one is found in green vegetables. 7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one is a constituent of Rheum sp. (rhubarb). Constituent of Rheum species (rhubarb). 7-Hydroxy-2,5-dimethyl-4H-1-benzopyran-4-one is found in green vegetables.
7-Methoxy-6-methyl-2H-1-benzopyran-2-one
7-Methoxy-6-methyl-2H-1-benzopyran-2-one is found in herbs and spices. 7-Methoxy-6-methyl-2H-1-benzopyran-2-one is a constituent of Trachyspermum roxburghianum (Bishops weed). Constituent of Trachyspermum roxburghianum (Bishops weed). 7-Methoxy-6-methyl-2H-1-benzopyran-2-one is found in herbs and spices.
(S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone
(S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone is found in nuts. (S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone is a constituent of Juglans nigra (black walnut). Constituent of Juglans nigra (black walnut). (S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone is found in nuts.
Aspartyl-Glycine
Aspartyl-Glycine is a dipeptide composed of aspartate and glycine. 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.
Nitroxoline
Nitroxoline is only found in individuals that have used or taken this drug. It is a urinary antibacterial agent active against susceptible gram-positive and gram-negative organisms commonly found in urinary tract infections. It is a fluorquinolone that is active against bacterial gyrases.This drug may also have antitumor activity by inhibition of ype 2 methionine aminopeptidase (MetAP2) protein which is involved in angiogenesis. Its antibacterial activity may stem from the metal ion complexation vital for bacterial growth. C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
Glycyl-Aspartate
Glycyl-Aspartate is a dipeptide composed of glycine and aspartate. 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.
Ethyl 4-(acetylthio)butyrate
Ethyl 4-(acetylthio)butyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal
5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is found in garden tomato. 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is a flavouring ingredient and antioxidant. 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is present in tomato juice and hydrolysed vegetable protein. 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal is a flavouring ingredient and antioxidant. It is found in tomato juice and hydrolysed vegetable protein.
2-Hydroxy-2-(2-oxopropyl)butanedioic acid
2-Hydroxy-2-(2-oxopropyl)butanedioic acid belongs to the family of Medium-chain Keto Acids and Derivatives. These are keto acids with a 6 to 12 carbon atoms long side chain.
N-carbamoylglutamic Acid
N-carbamoylglutamic Acid, also known as N-Carbamoylglutamate, is classified as a glutamic acid or a Glutamic acid derivative. Glutamic acids are compounds containing glutamic acid or a derivative thereof resulting from reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. N-carbamoylglutamic Acid is considered to be soluble (in water) and acidic
2-O-Methylascorbic acid
2-O-Methylascorbic acid (2-O-MA) is a derivative of vitamin C (ascorbic acid). The enzyme catechol-O-methyltransferase catalyzes the methylation of L-ascorbic acid into 2-O-methylascorbic acid (PMID: 7129800). 2-O-Methylascorbic acid belongs to the class of organic compounds known as butenolides. These are dihydrofurans with a carbonyl group at the C2 carbon atom. 2-O-Methylascorbic acid has been identified in urine and was found to be higher in older women than in younger women (PMID: 28813537).
KBio1_001356
7-methoxy-4-methyl-1-benzopyran-2-one is a member of coumarins.
7-Methoxy-4-methylcoumarin
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.928 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.924
3-acetyl-5-carbomethoxy-2H-3,4,5,6-tetrahydro-1,2,3,5,6-oxatetrazine
5-hydroxy-7-(prop-2-en-(E)-ylidene)-7,7a-dihydro-2H-cyclopenta[b]pyran-6-one
3-Acetyl-5-carbomethoxy-2H-3,4,5,6-tetrahydro-1-oxa-2,3,5,6-tetrazine
(+)-4-Hydroxy-undeca-5,6-dien-8,10-diinsaeure|(+)-4-hydroxy-undeca-5,6-diene-8,10-diynoic acid|4-Hydroxy-5,6-undecadiene-8,10-diynoic acid
(+)-Harveynone|(2R,3S,4S)-2,3-Epoxy-4-hydroxy-6-(3-methylbut-3-en-1-ynyl)-5-cyclohexen-1-one
5-hydroxy-1-(3-methyl-3-buten-1-ynyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
Ethylumbelliferone
7-ethoxycoumarin is a member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group. It is an aromatic ether and a member of coumarins. It is functionally related to an umbelliferone. A member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group. 7-Ethoxycoumarin is a substrate for cytochrome P450(CYP450) and has been used in the functional characterization of various CYPs[1]. 7-Ethoxycoumarin is a substrate for cytochrome P450(CYP450) and has been used in the functional characterization of various CYPs[1].
4-Nitroquinoline 1-oxide
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Nitroxoline
A monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5. C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use D000890 - Anti-Infective Agents > D000935 - Antifungal Agents
Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate
Altechromone A
A natural product found particularly in Alternaria species and Alternaria brassicicola.
(S)-2,3-Dihydro-5-hydroxy-2-methyl-1,4-naphthoquinone
(2E)-2-[(2E)-2-(1,3,3-TRIMETHYL-1,3-DIHYDRO-2H-INDOL-2-YLIDENE)ETHYLIDENE]-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE
(R)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
(S)-4-Oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
1H-Benzimidazole-2-carboxylicacid,4-methyl-,methylester(9CI)
Thiazolo[4,5-h]isoquinoline, 6,7,8,9-tetrahydro- (9CI)
1H-Indene-1-carboxylicacid, 2,3-dihydro-7-methyl-3-oxo-
(1R,1aR,7bS)-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxylic acid
(2-MORPHOLIN-4-YLMETHYL-BENZOIMIDAZOL-1-YL)-ACETIC ACID
4-Oxo-4H-Pyrido[1,2-A]Pyrimidine-3-Carboxylic Acid
1-Piperazinecarboxaldehyde, 4-(chloroacetyl)- (9CI)
4-(4-Methyl-phenyl)-1,3-dihydro-imidazole-2-thione
1-hydroxy-1,4-dihydronaphthalene-2-carboxylic acid
2,2,3,3,4,4,5,5-octadeuteriohexanedioyl dichloride
4-OXO-4H-PYRIDO[1,2-A]PYRIMIDINE-2-CARBOXYLIC ACID, ETHYL ESTER
(2S-CIS)-5-(2-(DIMETHYLAMINO)ETHYL)-2,3-DIHYDRO-3-HYDROXY-2-(4-METHOXYPHENYL)-1,5-BENZOTHIAZEPIN-4(5H)-ONE
4-amino-1-methyl-1h-pyrrole-2-carboxylic acid-methyl ester hcl
(3S-CIS)-(-)-3-PHENYLTETRAHYDROPYRROLO-[2,1-B]-OXAZOL-5(6H)-ONE
4,5-DIHYDRO[1,2,5]OXADIAZOLO[3,4-F]CINNOLIN-3-IUM-3-OLATE
6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxylic acid(SALTDATA: FREE)
(3S-CIS)-(+)-2,3-DIHYDRO-3-ISOPROPYL-7A-METHYLPYRROLO[2,1-B]OXAZOL-5(7AH)-ONE
N-METHYL-1-(6-(TRIFLUOROMETHYL)PYRIDIN-3-YL)METHANAMINE
methyl (5-chloromethyl-dihydrofuran-2-ylidene)acetate
Ethyl 3-amino-1H-pyrrole-2-carboxylate hydrochloride
3,6-Methanonaphth[2,3-b]oxirene-2,7-dione,1a,2a,3,6,6a,7a-hexahydro-
1-(2-METHYLAMINOPROPYL)-3-ADAMANTANOLHYDROCHLORIDE
2H-Benzimidazole-2-thione,1,3-dihydro-1-(2-propenyl)-(9CI)
8-OXO-5,6,7,8-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLIC ACID
3-METHYL-4-METHYLENE-3,4-DIHYDROQUINAZOLINE-2(1H)-THIONE
6-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
2-oxo-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
4-(4-Nitrobenzyl)piperazine-1-carboxylic acid tert-butyl ester
[2-(4-fluoro-phenyl)-ethyl]-hydrazine hydrochloride
1-(3-NITRO-2-PYRIDINYL)-2-PYRROLIDINECARBOXYLICACID
6-hydroxy-3,4-dihydronaphthalene-2-carboxylic acid
N-METHYL-1-(6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)METHANAMINE
2-Oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylic acid
Methyl 4-deoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
5-(2-fluoropyridin-3-yl)-1H-pyrrole-3-carbaldehyde
3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
5-Oxo-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
[3-(Difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-acetic acid
N-METHYL-2-(TRIFLUOROMETHYL)-4-PYRIDINEMETHANAMINE
2-Hydroxy-2-methylpropane-1,2,3-tricarboxylic acid
2-oxo-2-(1H-pyrrolo[3,2-b]pyridin-3-yl)acetic acid
Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate
Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate is found in mushrooms. Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate is isolated from Camarophyllus virgineus (snowy waxcap). Isolated from Camarophyllus virgineus (snowy waxcap). Methyl (Z,Z)-10-hydroxy-2,8-decadiene-4,6-diynoate is found in mushrooms.
(5-Hydroxyindol-3-yl)acetate
The indol-3-yl carboxylic acid anion formed by loss of a proton from the carboxy group of (5-hydroxyindol-3-yl)acetic acid; principal microspecies at pH 7.3
1,4,5-Trihydroxy-5-hydroxymethyl-cyclohex-1-en-3-one
3-Oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium
5-hydroxy-7-prop-2-en-(E)-ylidene-7,7a-dihydro-2H-cyclopenta[b]pyran-6-one
5-hydroxy-7-prop-2-en-(Z)-ylidene-7,7a-dihydro-2H-cyclopenta[b]pyran-6-one
N-acetyl-D-methionine(1-)
A D-alpha-amino acid anion resulting from the removal of the proton from the carboxy group of N-acetyl-D-methionine.
Carglumic Acid
A - Alimentary tract and metabolism > A16 - Other alimentary tract and metabolism products > A16A - Other alimentary tract and metabolism products > A16AA - Amino acids and derivatives C78275 - Agent Affecting Blood or Body Fluid
3-Dehydroquinic acid
A 4-oxo monocarboxylic acid derived from quinic acid by oxidation of the hydroxy group at position 3 to the corresponding keto group.
N-carbamoylglutamic acid
A glutamic acid derivative that is glutamic acid substituted by a carbamoyl group at the nitrogen atom.
1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid
5-hydroxy-7-prop-2-en-(Z)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one
An organic heterobicyclic compound that is 7,7a-dihydrocyclopenta[b]pyran-6(2H)-one substituted by a hydroxy group at position 5 and a prop-2-en-1-ylidene group at position 7 (the Z isomer). Isolated from the sponge Ulosa and ascidian Diplosoma virens, it exhibits antimicrobial activity and toxicity against HCT116 cells (human colorectal cancer cells) by triggering apoptotic cell death.
2-hydroxy-(indol-3-yl)acetate
An indol-3-yl carboxylic acid anion resulting from the deprotonation of the carboxy group of 2-hydroxy-(indol-3-yl)acetic acid. This is a very minor tautomer; the major tautomer is the corresponding oxindole.
5-hydroxy-7-prop-2-en-(E)-ylidene-7,7a-dihydro- 2H-cyclopenta[b]pyran-6-one
An organic heterobicyclic compound that is 7,7a-dihydrocyclopenta[b]pyran-6(2H)-one substituted by a hydroxy group at position 5 and a prop-2-en-1-ylidene group at position 7 (the E isomer). Isolated from the sponge Ulosa and ascidian Diplosoma virens, it exhibits antimicrobial activity and toxicity against HCT116 cells (human colorectal cancer cells) by triggering apoptotic cell death.
N-acetyl-L-methionine(1-)
An L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-methionine, obtgained by deprotonation of the carboxy group.
methyl (2z)-7-[(2s,3s)-3-methyloxiran-2-yl]hept-2-en-4,6-diynoate
(2r)-2-amino-3-(carboxymethyl-c-hydroxycarbonimidoyl)propanoic acid
5-hydroxy-3-(3-methylbut-3-en-1-yn-1-yl)-7-oxabicyclo[4.1.0]hept-3-en-2-one
(2s)-2-amino-3-(carboxymethyl-c-hydroxycarbonimidoyl)propanoic acid
3-acetyl-5-carbomethoxy-2h-3,4,5,6-tetrahydro-1-oxa-2,3,5,6-tetrazine
{"Ingredient_id": "HBIN007870","Ingredient_name": "3-acetyl-5-carbomethoxy-2h-3,4,5,6-tetrahydro-1-oxa-2,3,5,6-tetrazine","Alias": "NA","Ingredient_formula": "C5H10N4O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14135","TCMID_id": "345","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
