Exact Mass: 172.0648
Exact Mass Matches: 172.0648
Found 500 metabolites which its exact mass value is equals to given mass value 172.0648,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Menadione
Menadione is a synthetic naphthoquinone without the isoprenoid side chain and biological activity, but can be converted to active vitamin K2, menaquinone, after alkylation in vivo. -- Pubchem; Despite the fact that it can serve as a precursor to various types of vitamin K, menadione is generally not used as a nutritional supplement. Large doses of menadione have been reported to cause adverse outcomes including hemolytic anemia due to G6PD deficiency, neonatal brain or liver damage, or neonatal death in some cases. Moreover, menadione supplements have been banned by the FDA because of their high toxicity. It is sometimes called vitamin K3, although derivatives of naphthoquinone without the sidechain in the 3-position cannot exert all the functions of the K vitamins. Menadione is a vitamin precursor of K2 which utilizes alkylation in the liver to yield menaquinones (MK-n, n=1-13; K2 vitamers), and hence, is better classified as a provitamin. -- Wikipedia. B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics > B02BA - Vitamin k D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents D018977 - Micronutrients > D014815 - Vitamins Prothrombogenic vitamin (synthetic) Menadione is a naphthoquinone that is converted into active vitamin K2 in the body. Menadione is a naphthoquinone that is converted into active vitamin K2 in the body.
Hydantoin-5-propionic acid
Hydantoin-5-propionic acid is a metabolite of histidine, urinary hydantoin-5-propionic acid occur in patients with disorders of folate/ vitamin B12 metabolism (PMID: 3760095). Folic acid non-dependent excessive formiminoglutamic aciduria (Figlu-uria) is an extremely rare disorder; treatment with oral folate supplements (15 mg/day) for 3 weeks failed to reduce urinary hydantoin-5-propionic acid (PMID: 8487495). A metabolite of histidine, urinary hydantoin-5-propionic acid occur in patients with disorders of folate/ vitamin B12 metabolism (PMID: 3760095) 5-Hydantoinpropionic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=5624-26-0 (retrieved 2024-07-01) (CAS RN: 5624-26-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Methyl (Z)-2-decene-4,6,8-triynoate
Methyl (Z)-2-decene-4,6,8-triynoate occurs in Artemisia vulgaris (mugwort). Occurs in Artemisia vulgaris (mugwort)
L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid
L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid is found in pulses. L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid is a amino acid from the roots of pea seedlings (Pisum species Amino acid from the roots of pea seedlings (Pisum subspecies). L-alpha-Amino-5-oxo-2(5H)-isoxazolepropanoic acid is found in pulses.
Glycylproline
Glycylproline is an end product of collagen metabolism that is further cleaved by prolidase (EC 3.4.13.9); the resulting proline molecules are recycled into collagen or other proteins. Prolidase deficiency is a rare autosomal recessive disease characterized by chronic ulcerative dermatitis, mental retardation, frequent infections and massive urinary excretion of iminodipeptides. The disease has been confirmed to be due to hereditary prolidase deficiency. It has been reported that the activity of the enzyme against glycylproline (Gly-Pro) is almost totally deficient in patients with prolidase deficiency, whereas the activity against other substrates is not so deficient. Some patients with prolidase deficiency have a marked urinary excretion of the iminodipeptide Glycylproline. The urine from patients with pressure sores contains significantly more Glycylproline than the urine from the control. (PMID: 16009141, 7629169, 1536787, 10582130) [HMDB] Glycylproline is a dipeptide composed of glycine and proline, and is an end product of collagen metabolism that is further cleaved by prolidase (EC 3.4.13.9). The resulting proline molecules are recycled into collagen or other proteins. Prolidase deficiency is a rare autosomal recessive disease characterized by chronic ulcerative dermatitis, mental retardation, frequent infections, and massive urinary excretion of iminodipeptides. Patients with this disease have reportedly decreased prolidase enzyme activity against glycylproline (Gly-Pro). The enzymes activity against other substrates is not as affected. Some patients with prolidase deficiency have a marked urinary excretion of glycylproline. Patients with pressure sores contain significantly more urinary glycylproline than the control (PMID: 16009141, 7629169, 1536787, 10582130). H-Gly-Pro-OH is an end product of collagen metabolism that is further cleaved by prolidase. H-Gly-Pro-OH is an end product of collagen metabolism that is further cleaved by prolidase.
Prolylglycine
Prolylglycine is a dipeptide composed of proline 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. It is found in urine (PMID: 3782411). L-Prolylglycine is an endogenous metabolite.
Diethyl fumarate
Diethyl fumarate is a fungal growth inhibitor for tomato juice. Flavouring compound [Superscent] Diethyl fumarate is a decomposition product of Malathion (an insecticide). Diethyl fumarate is a reputed skin irritant. Diethyl fumarate can causes non-immunologic contact urticaria on skin[1][2].
3-Acetyl-2,7-naphthyridine
3-Acetyl-2,7-naphthyridine is found in fats and oils. 3-Acetyl-2,7-naphthyridine is an alkaloid from valerian (Valeriana officinalis). Alkaloid from valerian (Valeriana officinalis). 3-Acetyl-2,7-naphthyridine is found in tea, fats and oils, and herbs and spices.
4-Hydroxy-1H-indole-3-acetonitrile
4-Hydroxy-1H-indole-3-acetonitrile is found in brassicas. 4-Hydroxy-1H-indole-3-acetonitrile is present in rapeseed and in cooked Brassica vegetables as a glucosinolate decomposition product. 4-Hydroxy-1H-indole-3-acetonitrile is formed from 4-Hydroxyindol-3-ylmethyl glucosinolate
Cinnamylideneacetone
Cinnamylideneacetone is found in beverages. Cinnamylideneacetone is found in kava (Piper methysticum). FDA advises against use of kava in food due to potential risk of severe liver damage (2002
2-Octenedioic acid
2-Octenedioic acid is an unsaturated dicarboxylic acid found in the urine of persons with abnormal fatty acid metabolism, such as patients with Dicarboxylic aciduria (PMID 2094705, 2614263). [HMDB] 2-Octenedioic acid is an unsaturated dicarboxylic acid found in the urine of persons with abnormal fatty acid metabolism, such as patients with Dicarboxylic aciduria (PMID 2094705, 2614263).
cis-4-Octenedioic acid
cis-4-Octenedioic acid, also known as (Z)-4-octene-1,8-dioate, belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups. cis-4-Octenedioic acid is a very hydrophobic molecule, practically insoluble in water, and relatively neutral. 4-Octenedioic acid have been found slightly elevated in the urine of persons with abnormal fatty acid metabolism (PMID 2094705) [HMDB]
trans-3-Octenedioic acid
trans-3-Octenedioic acid is a mono-unsaturated dicarboxylic acid and isomer of octenedioic acids. Octenedioic acids can be derived from the oxidation of oleic and linoleic acids and are a urinary metabolites occurring in patients with dicarboxylic aciduria.(PMID: 2271537) [HMDB] trans-3-Octenedioic acid is a mono-unsaturated dicarboxylic acid and isomer of octenedioic acids. Octenedioic acids can be derived from the oxidation of oleic and linoleic acids and are a urinary metabolites occurring in patients with dicarboxylic aciduria.(PMID: 2271537).
2-Ethoxynaphthalene
2-Ethoxynaphthalene is a flavouring ingredien Flavouring ingredient
3-Isopropenylpentanedioic acid
3-Isopropenylpentanedioic acid 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 .
Ethyl 2,4-dioxohexanoate
Ethyl 2,4-dioxohexanoate is a flavouring ingredien Flavouring ingredient
2-Hydroxy-1-naphthaldehyde
CFL-137 is a potent KRasG12C inhibitor. CFL-137 shows an antiproliferative effect. CFL-137 shows anticancer activity. CFL-137 has the potential for the research of lung cancer[1].
menadione
A member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia. B - Blood and blood forming organs > B02 - Antihemorrhagics > B02B - Vitamin k and other hemostatics > B02BA - Vitamin k D006401 - Hematologic Agents > D003029 - Coagulants > D006490 - Hemostatics D050299 - Fibrin Modulating Agents > D000933 - Antifibrinolytic Agents D018977 - Micronutrients > D014815 - Vitamins Menadione is a naphthoquinone that is converted into active vitamin K2 in the body. Menadione is a naphthoquinone that is converted into active vitamin K2 in the body.
5-hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one
2-Hydroxy-naphthaldehyde
CONFIDENCE standard compound; INTERNAL_ID 13 CFL-137 is a potent KRasG12C inhibitor. CFL-137 shows an antiproliferative effect. CFL-137 shows anticancer activity. CFL-137 has the potential for the research of lung cancer[1].
(+)-dodec-4t-ene-6,8,10-triyn-3-ol|Dodec-trans-4-en-6.8.10-triyn-3-ol
dodeca-3t,5t,7t-triene-9,11-diyn-1-ol|Dodecadiin-(9.11)-trien-(3t.5t.7t)-ol-(1)
Drosophilin D (cis-Undeca-3,9,10-trien-5,7-diinsaeure)|Undeca-3c,9,10-trien-5,7-diinsaeure|undeca-3c,9,10-triene-5,7-diynoic acid
(1S,2R,5S,6R)-5,6-dihydroxy-2-methylcyclohex-3-enecarboxylic acid|massarigenin E
rel-(4R,5S)-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-enone
2-{4-hydroxy-7-oxabicyclo[2.2.1]heptanyl}acetic acid
4,6-dihydroxy-6-(2-hydroxyethyl)cyclohex-2-en-1-one
5-Hepta-1,2-dien-4,6-diinyl-dihydro-furan-2-on|5-hepta-1,2-diene-4,6-diynyl-dihydro-furan-2-one|Nemotin
Drosophilin C (cis-Undec-3-en-5,7,10-triinsaeure)|Undec-3c-en-5,7,10-triinsaeure|undec-3c-ene-5,7,10-triynoic acid
3,7-Dimethyl-1H-indene-5-carboxaldehyde|3,7-dimethylindene-5-carboxaldehyde
1-phenyl-4-hexynone|1-Phenyl-hex-4-in-1-on|1-phenyl-hex-4-yn-1-one|1-phenylhex-4-yn-1-one|capillon
H-Gly-Pro-OH
Acquisition and generation of the data is financially supported in part by CREST/JST. H-Gly-Pro-OH is an end product of collagen metabolism that is further cleaved by prolidase. H-Gly-Pro-OH is an end product of collagen metabolism that is further cleaved by prolidase.
Glycylproline
H-Gly-Pro-OH is an end product of collagen metabolism that is further cleaved by prolidase. H-Gly-Pro-OH is an end product of collagen metabolism that is further cleaved by prolidase.
(-)-Corey lactone diol
Ethyl maleate
Diethyl fumarate is a decomposition product of Malathion (an insecticide). Diethyl fumarate is a reputed skin irritant. Diethyl fumarate can causes non-immunologic contact urticaria on skin[1][2].
sodium,2,2,3,3-tetradeuterio-3-trimethylsilylpropanoate
2-Butenoic acid,3-[(aminocarbonyl)amino]-, ethyl ester
CIS-2-(METHOXYCARBONYL)CYCLOPENTANECARBOXYLIC ACID
(R)-(-)-(2,2-DIMETHYL-[1,3]-DIOXOLAN-4-YL)-METHYLAMINE
(4Z)-4-(ETHOXYMETHYLENE)ISOQUINOLINE-1,3(2H,4H)-DIONE
(1R,3S)-3-(Methoxycarbonyl)cyclopentanecarboxylic acid
1-(4-HYDROXYPHENYL)-3-(2,3,4-TRIMETHOXYPHENYL)-2-PROPEN-1-ONE
(R)-4-(3-ISOPROPOXYPHENYL)-1,3-DIMETHYL-1,2,3,6-TETRAHYDRO-PYRIDINE
methyl 2-[(2S)-3-oxo-2,4,5,6-tetrahydropyrazin-2-yl]acetate
5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
5-Amino-2-mercapto-1-methyl-1H-imidazole-4-carboxamide
Ethyl 5-hydroxy-3,6-dihydro-2H-pyran-4-carboxylate
2-methyl-N-(1,3,4-thiadiazol-2-yl)propane-1,2-diamine
1-(aminocarbonyl)piperidine-3-carboxylic acid(SALTDATA: HCl)
1-(4-pyridinyl)-1H-pyrrole-2-carbaldehyde(SALTDATA: FREE)
5,9-Methano-6,7,8,9-tetrahydro-7H-benzocycloheptene-7-one
3S-(3a,3a,6a)]-Hexahydrofuro[2,3-b]furan-3-ol Acetate
5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
1H-Benzimidazole-5-carbonitrile,2-amino-1-methyl-(9CI)
N-(4,5-dihydro-4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)-Acetamide
(2S)-2-[[2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]AMINO]-3-METHYL-BUTANOATE
cis-1,2-cyclobutanedicarboxylic acid dimethyl ester
5-BROMO-3-HYDROXY-3-(2-OXOPROPYL)-1,3-DIHYDRO-2H-INDOL-2-ONE
1,3-dihydro-imidazol-2-one-5-methoxymethyl-4-carboxylic acid
(R)-(+)-7,7-BIS[DI(4-METHYLPHENYL)PHOSPHINO]-2,2,3,3-TETRAHYDRO-1,1-SPIROBIINDANE
trans-cyclobutane-dicarboxylic acid-(1.3)-dimethyl ester
3-deoxy-1,2-O-isopropylidene-α-D-erythro-pentodialdo-1,4-furanose aldehyde
(1R,2R)-trans-1,2-Cyclopentanediamine dihydrochloride
5,5-Dimethyl-2,4-dioxo-1,3-oxazolidine-3-carboxamide
dimethyl 3-methyl-trans-1,2-cyclopropanedicarboxylate
5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-amine
Diethyl fumarate
A dieter obtained by the formal condensation of fumaric acid with ethanol. Diethyl fumarate is a decomposition product of Malathion (an insecticide). Diethyl fumarate is a reputed skin irritant. Diethyl fumarate can causes non-immunologic contact urticaria on skin[1][2].
4,7-Dioxooctanoic acid
A dioxo monocarboxylic acid that is caprylic acid with the two oxo groups at the 4- and 7-positions.
Valanimycin
An azoxy compound that is acrylic acid in which the olefinic hydrogen at position 2 has been replaced by an isobutyl-ONN-azoxy group.
4,7-dihydroxyhexahydro-2-benzofuran-1(3H)-one
D009676 - Noxae > D000988 - Antispermatogenic Agents > D013089 - Spermatocidal Agents D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D020011 - Protective Agents > D016587 - Antimutagenic Agents D000970 - Antineoplastic Agents
5-Hydroxy-4-methoxy-5-(1-methylethyl)-2(5H)-furanone
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(S)-2-Amino-3-(3-hydroxy-isoxazol-4-YL)propionic acid
2-Naphthoic acid
A naphthoic acid that is naphthalene carrying a carboxy group at position 2.
2-Acetamido-5-oxopentanoate
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(5S)-5-(carboxymethyl)-L-proline(1-)
An alpha-amino-acid anion that is the conjugate base of (2S,5S)-5-carboxymethylproline, obtained by deprotonation of the two carboxy groups and protonation of the endocyclic amino group.
(5S)-5-amino-6-hydroxy-2,6-dioxohexane-1-diazonium
Metronidazole(1+)
An organic cation resulting from the addition of a proton to metronidazole.
Hexahydro[1,2,4]triazino[5,6-E][1,2,4]triazine-3,6(2H,4H)-dione
1,1a,7,7a-Tetrahydro-7a-methyl-7-methylenebenzo[b]cyclopropa[e]pyran
Hydantoin-5-propionic acid
A imidazolidine-2,4-dione that is hydantoin substituted by a 2-carboxyethyl group at position 4.
3-(5-oxoisoxazolin-4-yl)-L-alanine
A member of the class of isoxazoles that is L-alanine in which one of the methyl hydrogens is replaced by a 5-oxoisoxazolin-4-yl group.
3-(5-oxoisoxazolin-2-yl)-L-alanine
A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-oxoisoxazolin-2-yl group.
3-(5-oxoisoxazolin-4-yl)-L-alanine zwitterion
An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of 3-(5-oxoisoxazolin-4-yl)-L-alanine; major species at pH 7.3.
3-(5-oxoisoxazolin-2-yl)-L-alanine zwitterion
An amino acid zwitterion resulting from a transfer of a proton from the carboxy group to the amino group of 3-(5-oxoisoxazolin-2-yl)-L-alanine; major species at pH 7.3.
N-formimidoyl-L-glutamate(2-)
A dicarboxylic acid anion resuting from removal of a proton from both carboxy groups of N-formimidoyl-L-glutamic acid.
suberate(2-)
A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of suberic acid; major species at pH 7.3.
Gly-Pro zwitterion
A peptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Gly-Pro.
