Exact Mass: 172.0767
Exact Mass Matches: 172.0767
Found 500 metabolites which its exact mass value is equals to given mass value 172.0767
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
iminoarginine
A dehydroamino acid that is arginine in which the amino group has been oxidised to the corresponding imine.
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.
1,2,3,4-Tetrahydro-beta-carboline
Tetrahydro-b-carbolines (THbCs)are potential neuroactive alkaloids found in chocolate and cocoa. The formation of 1,2,3,4-tetrahydro-/3-carbolines (THBCs), via the Pictet-Spengler condensation of tryptamines with formaldehyde, has been demonstrated repeatedly in incubations of various mammalian tissues containing added indolethylamine substrate and the methyl donors .5-methyltetrahydrofolate (5-MTHF) or S-adenosylmethionine(SAM). It is concluded that the formation of these THBCs is an artifact produced by the enzymatic liberation of formaldehyde from the methyl donors and the subsequent non-enzymatic condensation of this formaldehyde with the indole substrates. The formation of THBCs in vivo has thus remained a point of contention. (PMID: 7213417). 1,2,3,4-Tetrahydro-beta-carboline is a biomarker for the consumption of beer Tetrahydro-b-carbolines (THbCs)are potential neuroactive alkaloids found in chocolate and cocoa. D009676 - Noxae > D009498 - Neurotoxins Tetrahydro-β-carboline (Tryptoline) is a metabolite of tryptamine, also is a competitive serotonin reuptake inhibitor with an Ki value of 6.1 μM[1].
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.
S-(3-Methyl-2-butenyl) 2-methylpropanethioate
S-(3-Methyl-2-butenyl) 2-methylpropanethioate is found in herbs and spices. S-(3-Methyl-2-butenyl) 2-methylpropanethioate is a constituent of buchu (Agathosma) species
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
Allyl thiohexanoate
Aroma constituent of fried garlic. Allyl thiohexanoate is found in onion-family vegetables. Allyl thiohexanoate is found in onion-family vegetables. Aroma constituent of fried garlic.
5-hydroxy-4-(hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-one
(+)-dodec-4t-ene-6,8,10-triyn-3-ol|Dodec-trans-4-en-6.8.10-triyn-3-ol
(4-amino-5-oxo-tetrahydro-furan-2-ylmethyl)-guanidine|gamma-Hydroxy-arginin-lacton
dodeca-3t,5t,7t-triene-9,11-diyn-1-ol|Dodecadiin-(9.11)-trien-(3t.5t.7t)-ol-(1)
(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
1-Amino-2-(guanidinomethyl)cyclopropanecarboxylic 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
Deoxypeganin
Deoxypeganine is a member of quinazolines. Deoxypeganine is a natural product found in Nitraria komarovii, Peganum harmala, and Peganum nigellastrum with data available.
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.
Tryptoline
D009676 - Noxae > D009498 - Neurotoxins Tetrahydro-β-carboline (Tryptoline) is a metabolite of tryptamine, also is a competitive serotonin reuptake inhibitor with an Ki value of 6.1 μM[1].
(-)-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
N-METHYL-1-(QUINOLIN-3-YL)METHANAMINE HYDROCHLORIDE
2-Butenoic acid,3-[(aminocarbonyl)amino]-, ethyl ester
CIS-2-(METHOXYCARBONYL)CYCLOPENTANECARBOXYLIC ACID
(4Z)-4-(ETHOXYMETHYLENE)ISOQUINOLINE-1,3(2H,4H)-DIONE
(1R,3S)-3-(Methoxycarbonyl)cyclopentanecarboxylic acid
(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
1H-Benzimidazole,2-methyl-1-(1-methylethenyl)-(9CI)
5-ethenyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
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
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE
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)
(2S)-2-[[2-CHLORO-4-(TRIFLUOROMETHYL)PHENYL]AMINO]-3-METHYL-BUTANOATE
2-amino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
cis-1,2-cyclobutanedicarboxylic acid dimethyl ester
5-BROMO-3-HYDROXY-3-(2-OXOPROPYL)-1,3-DIHYDRO-2H-INDOL-2-ONE
(R)-(+)-7,7-BIS[DI(4-METHYLPHENYL)PHOSPHINO]-2,2,3,3-TETRAHYDRO-1,1-SPIROBIINDANE
Piperazine, 2,5-dimethyl-1,4-dinitroso-, trans- (9CI)
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
dimethyl 3-methyl-trans-1,2-cyclopropanedicarboxylate
5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-amine
1-(3,5-DIFLUOROPHENYL)-2-HYDROXYMETHYL-3-ISOPROPYLINDOLE
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
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.
N-acetyl-L-leucinate
An N-acyl-L-alpha-amino acid anion that is the conjugate base of N-acetyl-L-leucine: major species at pH 7.3.
(E,2S)-2-amino-5-(diaminomethylideneamino)pent-4-enoic acid
(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
N-hexanoylglycinate
A monocarboxylic acid anion that is the conjugate base of N-hexanoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
N-acetyl-L-isoleucinate
A monocarboxylic acid anion that is the conjugate base of N-acetyl-L-isoleucine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
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.
L-enduracididine
An L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is substituted by a 2-iminoimidazolidin-4-yl group.
(2S,3R)-Capreomycidine
An L-alpha-amino acid obtained by enzyme-mediated intramolecular cyclisation of L-arginine.