Exact Mass: 228.1182
Exact Mass Matches: 228.1182
Found 286 metabolites which its exact mass value is equals to given mass value 228.1182,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Bisphenol A
Bisphenol A, commonly abbreviated as BPA, is an organic compound with two phenol functional groups. It is a difunctional building block of several important plastics and plastic additives. With an annual production of 2–3 million metric tonnes, it is an important monomer in the production of polycarbonate. It is a potential food contaminant arising from its use in reusable polycarbonate food containers such as water carboys, baby bottles and kitchen utensils D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D004785 - Environmental Pollutants > D000393 - Air Pollutants D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants CONFIDENCE standard compound; EAWAG_UCHEM_ID 163 Bisphenol A is a phenolic, organic synthetic compound widely used in the production of polycarbonate plastics and epoxy resins. Bisphenol A is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). Bisphenol A is associated with many diseases, including cardiovascular diseases, respiratory diseases, diabetes, kidney diseases, obesity, and reproductivedisorders[1][2][3].
(S)-ATPA
A non-proteinogenic L-alpha-amino acid that is L-alanine in which one of the methyl hydrogens is replaced by a 5-tert-butyl-3-hydroxy-isooxazol-4-yl group.
Lindenenone
nabumetone
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents
Nabumetone
Nabumetone is a nonsteroidal anti-inflammatory drug (NSAID) of the arylalkanoic acid family (which includes diclofenac). Marketed under the brand name Relafen, it has been shown to have a slightly lower risk of gastrointestinal side effects than most other non-selective NSAIDs. M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D004791 - Enzyme Inhibitors > D016861 - Cyclooxygenase Inhibitors > D052246 - Cyclooxygenase 2 Inhibitors C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents
Prolylhydroxyproline
Prolylhydroxyproline is a dipeptide. Prolylhydroxyproline is a marker of bone collagen degradation, showing high sensitivity for the diagnosis of osteoporosis. Prolylhydroxyproline has been suggested as a possible alternative to hydroxyproline determination in bone resorption studies. Prolylhydroxyproline is one of the iminodipeptides present in the urine of patients with prolidase deficiency. Prolidase (X-Pro dipeptidase EC 3.4. 13.9) splits iminodipeptides containing C-terminal proline or hydroxyproline (X-Pro or X-Hyp) to X+Pro or X+Hyp. Prolidase deficiency is a rare autosomal recessive disease characterized by chronic ulcerative dermatitis and mental retardation. These patients excrete large amounts of iminodipeptides containing C-terminal proline in the urine due to hereditary prolidase deficiency. (PMID: 12636053, 11863289, 2387877, 1874885, 9586797) [HMDB] Prolylhydroxyproline is a dipeptide. Prolylhydroxyproline is a marker of bone collagen degradation, showing high sensitivity for the diagnosis of osteoporosis. Prolylhydroxyproline has been suggested as a possible alternative to hydroxyproline determination in bone resorption studies. Prolylhydroxyproline is one of the iminodipeptides present in the urine of patients with prolidase deficiency. Prolidase (X-Pro dipeptidase EC 3.4.13.9) splits iminodipeptides containing C-terminal proline or hydroxyproline (X-Pro or X-Hyp) to X+Pro or X+Hyp. Prolidase deficiency is a rare autosomal recessive disease characterized by chronic ulcerative dermatitis and mental retardation. These patients excrete large amounts of iminodipeptides containing C-terminal proline in the urine due to hereditary prolidase deficiency (PMID: 12636053, 11863289, 2387877, 1874885, 9586797).
(S)-Menthone 8-thioacetate
(S)-Menthone 8-thioacetate is present in Buchu leaf oil. (S)-Menthone 8-thioacetate is a flavouring ingredient. Present in Buchu leaf oil. Flavouring ingredient
Pyroglutamylvaline
Pyroglutamylvaline, also known as pyro-Glu-Val or 5-oxoprolylvaline, is classified as a member of the dipeptides. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Pyroglutamylvaline is considered to be practically insoluble (in water) and acidic.
(S)-Curzeone
(S)-Curzeone is a constituent of Curcuma zedoaria (zedoary). Constituent of Curcuma zedoaria (zedoary).
Hydroxyprolyl-Proline
Hydroxyprolyl-Proline is a dipeptide composed of hydroxyproline and proline. 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.
Tetraacetylethylenediamine
Bleach activator used in food-contact paper and paperboard. TAED is an important component of detergents and bleaches. Its is an activator for "active oxygen" bleaching agents. Such active oxygen bleaching agents release hydrogen peroxide during the wash cycle. Such agents include sodium perborate, sodium percarbonate, sodium perphosphate, sodium persulfate, and urea peroxide. The released hydrogen peroxide is an inefficient bleach below 40 °C, except in the presence of activators such as TAED. Tetraacetylethylenediamine, commonly abbreviated TAED, is an organic compound with the formula (CH3C(O))2NCH2CH2N(C(O)CH3)2. This colourless compound is often dyed blue or green for use in laundry detergents, its most significant application. It is produced by acetylation of ethylenediamine. The activation process entails a reaction of the hydrogen peroxide with TAED to release peracetic acid, which is a fast-acting bleaching agent.:. Bleach activator used in food-contact paper and paperboard
bis(Benzyloxy)methane
bis(Benzyloxy)methane belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR (R = alkyl, aryl; R=benzene).
5-Methoxy-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
(2S)-3-Hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
(R)-Menthone 8-thioacetate
Flavour ingredient for various formulations (as mixture with the trans-form). Present in Buchu leaf oil
(E,E)-2,8-Decadiene-4,6-diyn-1-ol 3-methylcrotonate
Dehydrolindestrenolide
(E,Z)-2,8-Decadiene-4,6-diyn-1-ol 3-methylcrotonate
RU 24969
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists RU 24969 is a preferential 5-HT1B agonist, with a Ki of 0.38 nM, but also displays appreciable affinity for the 5-HT1A receptor (Ki=2.5 nM), and has low affinity for other receptor sites in the brain. RU 24969 could decrease fluid consumption and increase forward locomotion[1].
13-Acetoxy-trideca-6t,8c,10t-trien-2,4-diin|13-acetoxy-trideca-6t,8c,10t-triene-2,4-diyne
1,6-dimethyl-1H-cyclohepta[1,2-d;3,4-d]diimidazole-2,8-diamine
(-)-(4aR,9aR,10R)-1,4,4a,9a,10-pentahydro-10-hydroxy-2-methyl-anthracen-9-one|rubiasin A
(2R*,5R*,1E,3E,9Z)-form-Tetrahydro-5-(1,3,9-undecatriene-5,7-diynyl)-2-furanol,
(4R,6S)-4-hydroxy-6-(1-phenyl-2-propenyl)-2-cyclohexene-1-one
6-Methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-on|6-methoxy-3,4,9,10-tetrahydro-2H-phenanthren-1-one
10-desmethyl-1-methyl-5,6-dihydroeudesma-1,3,5(10)-triene-12,8beta-olide
furanoeudesma-1,4-diene-6-one|furanogermacr-1(10)Z,4Z-dien-6-one
2R-Catalponon|Catalponol-diketon|catalponone|Epicatalponon
(+)-(4aS,9aR,10S)-1,4,4a,9a,10-pentahydro-10-hydroxy-3-methyl-anthracen-9-one|rubiasin C
4,N2-dimethyl-1H-cyclohepta[1,2-d;4,5-d]diimidazole-2,6-diamine|Parazoanthoxanthin B
(E)-2-ethylidene-2,3,11,11a-tetrahydro-1Hbenzo[e]pyrrolo[1,2-a][1,4]diazepin-5(10H)-one|boseongazepine C
3,7-Dimethyl-5-isopropyl-1-oxo-1H-indene-6-carbaldehyde
Benzenemethanol, 2-[[(2-aminophenyl)methyl]amino]-
12-HYDROXY-4,4-BISNOR-4,8,11,13-PODOCARPATETRAEN-3-ONE
Dihydropinosylvinmethylether
Phenol, 3-methoxy-5-(2-phenylethyl)- is a natural product found in Pinus flexilis, Pinus balfouriana, and other organisms with data available.
Pro-Hyp
A dipeptide composed of L-proline and L-hydroxyproline residues. It is a biomarker for bone collagen degradation.
3-(DIMETHYLAMINO)-2-(3,4-DIMETHYLBENZOYL)ACRYLONITRILE
[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium,nitrate
1,2-Pyridazinedicarboxylicacid, 3,6-dihydro-, 1,2-diethyl ester
(2E,4E,6E,8E,10E,12E)-pentadeca-2,4,6,8,10,12,14-heptaenoic acid
4-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-BUT-2-YNOIC ACID METHYL ESTER
2-(5-CHLOROPENT-1-YN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
1-(4-METHOXY-PHENYL)-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE
p-Mentha-8-Thiol-3-One Acetate
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-ol
1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)methanamine
tert-butyl 4-cyano-4-fluoropiperidine-1-carboxylate
1-Isopropyl-3-methyl-piperidin-4-ylamine dihydrochloride
4-(1,1-dimethylethyl)-1-Naphthalenecarboxylic acid
2-ACETYL-8-METHYL-2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE
2-Amino-3-(3-hydroxy-5-tert-butylisoxazol-4-yl)propionic acid
ATPA is a selective glutamate receptor GluR5 activator with EC50s of 0.66, 9.5, 1.4, 23, 32, 18, and 14 μM for GluR5wt, GluR5(S741M), GluR5(S721T), GluR5(S721T, S741M), GluR5(S741A), GluR5(S741L), and GluR5(S741V), respectively[1].
L-Ornithine, N5-(4,5-dihydro-4-methyl-5-oxo-1H-imidazol-2-yl)-
Bisphenol A
D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones > D004967 - Estrogens D004785 - Environmental Pollutants > D000393 - Air Pollutants D000975 - Antioxidants > D016166 - Free Radical Scavengers D020011 - Protective Agents > D000975 - Antioxidants Bisphenol A is a phenolic, organic synthetic compound widely used in the production of polycarbonate plastics and epoxy resins. Bisphenol A is a reproductive, developmental, and systemic toxicant, often classified as an endocrine-disrupting compound (EDC). Bisphenol A is associated with many diseases, including cardiovascular diseases, respiratory diseases, diabetes, kidney diseases, obesity, and reproductivedisorders[1][2][3].
4-hydroxy-1-(pyrrolidine-2-carbonyl)pyrrolidine-2-carboxylic acid
(5S)-3,4,5-trimethyl-5,6-dihydrobenzo[f][1]benzofuran-9-ol
3-methyl-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]butanoic acid
(2S)-3-Hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
2-[3-(2-Cyanopropan-2-yl)-5-hydroxyphenyl]-2-methylpropanenitrile
2-Formyl-5,7-dimethyl-1,2,3,4-tetrahydropyrimido[3,4-a]indole
Pro-Hyp zwitterion
A dipeptide zwitterion obtained by transfer of a proton from the carboxy to the amino terminus of Pro-Hyp. Major species at pH 7.3.
phevalin
A member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and benzyl groups at position 3 and 6, respectively. It is a natural product found in Staphylococcus aureus that inhibits calpain in a casein hydrolysis assay (IC50 = 1.3 muM), contributes to S. aureus infection in mice, and alters human keratinocyte gene expression.
SIRT1-IN-1
SIRT1-IN-1 is a selective SIRT1 inhibitor with an IC50 of 0.205 μM. SIRT1-IN-1 inhibits SIRT2 with an IC50 of 11.5 μM[1]. SIRT1-IN-1, a indole, is a cytomegalovirus (CMV) inhibitors and has antiviral activity[2].
(2r)-2-(3-methylbut-2-en-1-yl)-2,3-dihydronaphthalene-1,4-dione
3,4,5-trimethyl-5h,6h,7h-naphtho[2,3-b]furan-8-one
1,5,8-trimethyl-7h,8h,9h-naphtho[2,1-b]furan-6-one
(2e,8e)-deca-2,8-dien-4,6-diyn-1-yl 3-methylbut-2-enoate
4-[(2r)-1,3,3-trimethylaziridin-2-yl]quinolin-2-ol
4-hydroxy-4-(3-phenylprop-2-en-1-yl)cyclohex-2-en-1-one
(2s)-2-amino-5-[(4-hydroxy-5-methyl-1,5-dihydroimidazol-2-ylidene)amino]pentanoic acid
(2r)-2-amino-4-{[(2s)-3-methyl-2,5-dihydrofuran-2-yl]-c-hydroxycarbonimidoyl}butanoic acid
5-[(2r)-2-(4-methylphenyl)propyl]furan-3-carbaldehyde
1(10),5,7(11),8-guaiatetraen-12,8-olide
{"Ingredient_id": "HBIN000221","Ingredient_name": "1(10),5,7(11),8-guaiatetraen-12,8-olide","Alias": "NA","Ingredient_formula": "C15H16O2","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "123914-43-2","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9725","PubChem_id": "NA","DrugBank_id": "NA"}
