Exact Mass: 172.1072542
Exact Mass Matches: 172.1072542
Found 500 metabolites which its exact mass value is equals to given mass value 172.1072542,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
9-Oxo-nonanoic acid
9-oxo-nonanoic acid, also known as 8-Formyloctanoic acid or 9-Ketononanoate, is classified as a member of the medium-chain fatty acids. Medium-chain fatty acids are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. 9-oxo-nonanoic acid is considered to be a slightly soluble (in water) and a weak acidic compound. 9-oxo-nonanoic acid can be synthesized from nonanoic acid. 9-oxo-nonanoic acid can be synthesized into 1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine. 9-oxo-nonanoic acid is a fatty acid lipid molecule. 9-oxo-nonanoic acid can be found in humans.
iminoarginine
A dehydroamino acid that is arginine in which the amino group has been oxidised to the corresponding imine.
9-Oxononanoic acid
A medium-chain oxo-fatty acid that is the 9-oxo derivative of nonanoic acid.
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].
4-Hydroperoxy-2-nonenal
This compound belongs to the family of Medium-chain Aldehydes. These are An aldehyde with a chain length containing between 6 and 12 carbon atoms.
1,2-Dihydro-1,1,6-trimethylnaphthalene
1,2-Dihydro-1,1,6-trimethylnaphthalene is found in alcoholic beverages. 1,2-Dihydro-1,1,6-trimethylnaphthalene is isolated from strawberry oil, peaches, tobacco and wines. 1,2-Dihydro-1,1,6-trimethylnaphthalene is a component of wine off-flavour on ageing. Isolated from strawberry oil, peaches, tobacco and wines. Component of wine off-flavour on ageing. 1,2-Dihydro-1,1,6-trimethylnaphthalene is found in alcoholic beverages and fruits.
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
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-Methylpropyl 3-hydroxy-2-methylidenebutanoate
2-Methylpropyl 3-hydroxy-2-methylidenebutanoate is found in herbs and spices. 2-Methylpropyl 3-hydroxy-2-methylidenebutanoate is a constituent of the oil of Anthemis nobilis (Roman chamomile). Constituent of the oil of Anthemis nobilis (Roman chamomile). 2-Methylpropyl 3-hydroxy-2-methylidenebutanoate is found in herbs and spices.
Butyl 3-hydroxy-2-methylidenebutanoate
Butyl 3-hydroxy-2-methylidenebutanoate is found in herbs and spices. Butyl 3-hydroxy-2-methylidenebutanoate is a constituent of the oil of Anthemis nobilis (Roman chamomile). Constituent of the oil of Anthemis nobilis (Roman chamomile). Butyl 3-hydroxy-2-methylidenebutanoate is found in herbs and spices.
2-Ethoxynaphthalene
2-Ethoxynaphthalene is a flavouring ingredien Flavouring ingredient
Tetrahydrofurfuryl butyrate
Tetrahydrofurfuryl butyrate is a flavouring agent with heavy sweet odour resembling apricot/pineappl Flavouring agent with heavy sweet odour resembling apricot/pineapple
cis-3-Hexenyl lactate
cis-3-Hexenyl lactate is found in alcoholic beverages. cis-3-Hexenyl lactate is found in cognac. cis-3-Hexenyl lactate is a flavouring ingredient. Found in cognac. Flavouring ingredient
3-Methylbutyl 3-oxobutanoate
3-Methylbutyl 3-oxobutanoate is a flavouring ingredient. 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.
Butyl levulinate
Butyl levulinate is a flavouring agent. Flavouring agent
5-Pentyl-1,4-dioxan-2-one
5-Pentyl-1,4-dioxan-2-one belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4. 5-Pentyl-1,4-dioxan-2-one is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 5-Pentyl-1,4-dioxan-2-one, along with 6-pentyl-1,4-dioxan-2-one, are mixed isomers used in food flavouring (FEMA 2076; CAS 65504-96-3). Both have a fruity-winey, somewhat ethereal odour.
6-Pentyl-1,4-dioxan-2-one
6-Pentyl-1,4-dioxan-2-one belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4. 6-Pentyl-1,4-dioxan-2-one is slightly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 6-Pentyl-1,4-dioxan-2-one, along with 5-pentyl-1,4-dioxan-2-one, are mixed isomers used in food flavouring (FEMA 2076; CAS 65504-96-3). Both have a fruity-winey, somewhat ethereal odour.
4-Hydroxy-2,2,6,6-tetramethylpiperidine-1-oxyl
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(+)-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
rel-(1R,4aS,6S,7R,7aS)-Octahydro-7-methylcyclopenta[c]pyran-1,6-diol|scholarein C
trideca-2t,9c-diene-4,6-diyne|Tridecadien-(2trans.9cis)-diin-(4.6)
dodeca-3t,5t,7t-triene-9,11-diyn-1-ol|Dodecadiin-(9.11)-trien-(3t.5t.7t)-ol-(1)
4-hydroxynon-2-enoic acid
A medium-chain fatty acid that is non-2-enoic acid substituted at position 4 by a hydroxy group.
1-Amino-2-(guanidinomethyl)cyclopropanecarboxylic acid
Tetrahydro-4-hydroxy-6-methyl-2-(2-oxopropyl)-2H-pyran
(Z)-1,4-Tridecadiene-7,9-diyne|cis-Trideca-1,4-dien-7,9-diin
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.
4-HNA
4-hydroxynon-2-enoic acid is a medium-chain fatty acid that is non-2-enoic acid substituted at position 4 by a hydroxy group. It is an olefinic fatty acid, a hydroxy fatty acid, a medium-chain fatty acid and a straight-chain fatty acid.
AI3-19273
Ethyl pivaloylacetate is a β-ketoester. Ethyl pivaloylacetate can be uesd as the substrate to evaluate the activity and stereoselectivity of the ketoreductase tool-box[1]. Ethyl pivaloylacetate is a β-ketoester. Ethyl pivaloylacetate can be uesd as the substrate to evaluate the activity and stereoselectivity of the ketoreductase tool-box[1].
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].
Pro-Gly
A dipeptide formed from L-proline and glycine residues. L-Prolylglycine is an endogenous metabolite.
4-(aminomethyl)-1-(2-methoxyethyl)pyrrolidin-2-one
C8H16N2O2 (172.12117160000003)
sodium,2,2,3,3-tetradeuterio-3-trimethylsilylpropanoate
C6H9D4NaO2Si (172.08335651200002)
N-METHYL-1-(QUINOLIN-3-YL)METHANAMINE HYDROCHLORIDE
N-Methyl-2-(4-piperidinyloxy)acetamide
C8H16N2O2 (172.12117160000003)
2-Butenoic acid,3-[(aminocarbonyl)amino]-, ethyl ester
1,1-Diethoxy-2,5-dihydro-1H-silole
C8H16O2Si (172.09195160000002)
piperidine-3-carboxylic acid (3-hydroxy-propyl)-amide
C8H16N2O2 (172.12117160000003)
METHYL 3-(PIPERAZIN-1-YL)PROPANOATE
C8H16N2O2 (172.12117160000003)
ethyl 1-methylpiperazine-2-carboxylate
C8H16N2O2 (172.12117160000003)
(Trimethylsilyl)methyl methacrylate
C8H16O2Si (172.09195160000002)
tert-butyl imidazolidine-1-carboxylate
C8H16N2O2 (172.12117160000003)
trimethylsilyl 3-methylbut-2-enoate
C8H16O2Si (172.09195160000002)
1,4-dioxaspiro[4.5]decan-8-ylhydrazine
C8H16N2O2 (172.12117160000003)
N-(2-hydroxyethyl)piperidine-3-carboxamide
C8H16N2O2 (172.12117160000003)
(3R,5R)-3-hydroxy-5-isopropyl-4,4-dimethyldihydrofuran-2(3H)-one
(3E)-4-[(Trimethylsilyl)oxy]-3-penten-2-one
C8H16O2Si (172.09195160000002)
3,4-DIHYDRO-6-(TRIMETHYLSILYLOXY)-2H-PYRAN
C8H16O2Si (172.09195160000002)
Diamide
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D013439 - Sulfhydryl Reagents D011838 - Radiation-Sensitizing Agents
4-Methyl-1-piperazineacetic acid methyl ester
C8H16N2O2 (172.12117160000003)
methyl 2-[(2S)-3-oxo-2,4,5,6-tetrahydropyrazin-2-yl]acetate
1-METHOXY-3-TRIMETHYLSILOXY-1,3-BUTADIENE
C8H16O2Si (172.09195160000002)
(S)-2-(HydroxyMethyl)-N,N-dimethylpyrrolidine-1-carboxamide
C8H16N2O2 (172.12117160000003)
1H-Benzimidazole,2-methyl-1-(1-methylethenyl)-(9CI)
3-PIPERAZIN-2-YL-PROPIONIC ACID METHYL ESTER
C8H16N2O2 (172.12117160000003)
2-Methyl-2-propanyl 1-allylhydrazinecarboxylate
C8H16N2O2 (172.12117160000003)
(1R,2S)-2-Hydroxy-Cyclohexanecarboxylic Acid Ethyl Ester
ethyl (1s,2s)-trans-2-hydroxycyclohexanecarboxylate
9-hydroxynon-2-enoic acid
A monounsaturated fatty acid that is (2E)-non-2-enoic acid in which one of the hydrogens at position 9 is replaced by a hydroxy group.
2-methyl-N-(1,3,4-thiadiazol-2-yl)propane-1,2-diamine
1-(aminocarbonyl)piperidine-3-carboxylic acid(SALTDATA: HCl)
[1,4]Diazepane-2-carboxylic acid ethyl ester
C8H16N2O2 (172.12117160000003)
1-Piperazineaceticacid,4-ethyl-(9CI)
C8H16N2O2 (172.12117160000003)
4-Amino-1-ethyl-4-piperidinecarboxylic acid
C8H16N2O2 (172.12117160000003)
5,9-Methano-6,7,8,9-tetrahydro-7H-benzocycloheptene-7-one
(1,2,3,4-TETRAHYDRO-ISOQUINOLIN-1-YL)-ACETONITRILE
CIS-3-METHOXYCARBONYLAMINO-4-METHYLPIPERIDINE
C8H16N2O2 (172.12117160000003)
1H-Indene,2,3-dihydro-1-methylene-6-(1-methylethyl)-(9CI)
ETHYL4-METHYLPIPERAZINE-2-CARBOXYLATE
C8H16N2O2 (172.12117160000003)
2-amino-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
methyl cis-3-hydroxymethylcyclohexane-1-carboxylate
5-BROMO-3-HYDROXY-3-(2-OXOPROPYL)-1,3-DIHYDRO-2H-INDOL-2-ONE
2-(1,4-dimethylpiperazin-2-yl)acetic acid
C8H16N2O2 (172.12117160000003)
(1-methyl-piperidin-4-ylamino)-acetic acid
C8H16N2O2 (172.12117160000003)
3-(Tetrahydrofuran-3-yl)propionic acid ethyl ester
1-AMINO-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER
C8H16N2O2 (172.12117160000003)
1-Hydroxy-cycloheptanecarboxylic acid methyl ester
(1R,4R)-Methyl 4-(hydroxymethyl)cyclohexanecarboxylate
(R)-(+)-7,7-BIS[DI(4-METHYLPHENYL)PHOSPHINO]-2,2,3,3-TETRAHYDRO-1,1-SPIROBIINDANE
3-(4-METHYLPIPERAZIN-1-YL)PROPANOIC ACID
C8H16N2O2 (172.12117160000003)
Piperazine, 2,5-dimethyl-1,4-dinitroso-, trans- (9CI)
3-hydroxy-2,2,4,4,5-pentamethyl-1-oxidoimidazol-1-ium
C8H16N2O2 (172.12117160000003)
4-AMINO-1-METHYL-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER
C8H16N2O2 (172.12117160000003)
2-Isopropyl-1-(2H3)methyl-5-nitro-1H-imidazole
C7H8D3N3O2 (172.10395413400002)
5-[2-(dimethylamino)ethyl]-1,3,4-thiadiazol-2-amine
1-(3,5-DIFLUOROPHENYL)-2-HYDROXYMETHYL-3-ISOPROPYLINDOLE
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.
Hexacyclonic acid
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Trimethylsilyl (2E)-2-methyl-2-butenoate
C8H16O2Si (172.09195160000002)
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
1,1,5-Trimethyl-1,2-dihydronaphthalene
An ortho-fused bicyclic hydrocarbon that is 1,2-dihydronaphthalene substituted by methyl groups at positions 1, 1 and 5 respectively.
(2Z,4R)-hydroxynon-2-enoic acid
A natural product found in Carthamus oxyacantha.
(2E,8R)-8-hydroxynon-2-enoic acid
An (omega-1)-hydroxy fatty acid that is (2E)-non-2-enoic acid in which the hydrogen at the 8 pro-R position is replaced by a hydroxy group.
(3S)-3-[(2S)-2-Amino-3-hydroxybutyl]pyrrolidin-2-one
C8H16N2O2 (172.12117160000003)
2-Pentenoic acid, trimethylsilyl ester
C8H16O2Si (172.09195160000002)
Endo 1-ethyl-5-methyl-6,8-dioxabicyclo(3,2,1)octan-3-OL
1,1a,7,7a-Tetrahydro-7a-methyl-7-methylenebenzo[b]cyclopropa[e]pyran
1-Piperidinyloxy, 4-hydroxy-2,2,6,6-tetramethyl-
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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.
Gly-pro
A dipeptide consisting of L-proline having a glycyl residue attached to its alpha-amino group.
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.
1-amino-2-(carbamimidamidomethyl)cyclopropane-1-carboxylic acid
2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methylcyclopent-3-en-1-ol
(3r,4s,5r,6r)-6-ethyl-4-hydroxy-3,5-dimethyloxan-2-one
(1r,4as,6s,7r,7as)-7-methyl-octahydrocyclopenta[c]pyran-1,6-diol
2-methylpropyl (3s)-3-hydroxy-2-methylidenebutanoate
10-deoxyeucommiol
{"Ingredient_id": "HBIN000105","Ingredient_name": "10-deoxyeucommiol","Alias": "10-de-oxyeucommiol","Ingredient_formula": "C9H16O3","Ingredient_Smile": "CC1=C(C(C(C1)O)CCO)CO","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5173;38615","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-Deoxyeucommiol
{"Ingredient_id": "HBIN002481","Ingredient_name": "1-Deoxyeucommiol","Alias": "1-deoxyeucommiol; 2-[(1R)-2,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]ethanol; 2-[(1R)-2,3-bis(hydroxymethyl)-1-cyclopent-2-enyl]ethanol; 2-[(1R)-2,3-dimethylol-1-cyclopent-2-enyl]ethanol; AC1NSUE9","Ingredient_formula": "C9H16O3","Ingredient_Smile": "C1CC(=C(C1CCO)CO)CO","Ingredient_weight": "172.22 g/mol","OB_score": "11.24061311","CAS_id": "NA","SymMap_id": "SMIT13076;SMIT14996","TCMID_id": "5172","TCMSP_id": "MOL012305","TCM_ID_id": "NA","PubChem_id": "5316559","DrugBank_id": "NA"}