Exact Mass: 264.1128296
Exact Mass Matches: 264.1128296
Found 205 metabolites which its exact mass value is equals to given mass value 264.1128296,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Acetyl-N-formyl-5-methoxykynurenamine
Acetyl-N-formyl-5-methoxykynurenamine (AFMK) results from the oxidative cleavage of the pyrrole ring during melatonin oxidation by myeloperoxidase (MPO), a superoxide anion (O)-dependent reaction. AFMK is also expected to be formed from oxidation catalyzed by the unspecific enzyme indoleamine-2,3-dioxygenase (IDO), found in a variety of cell types including monocyte/macrophage lineages. MPO- and IDO-catalyzed melatonin oxidation has the requirement of O in common, a species formed in large amounts in inflammatory conditions. The non-enzymatic formation of AFMK can also be expected by its direct reaction with highly reactive oxygen species, such as hydroxyl radical and singlet oxygen. Thus, we assume that AFMK is a product formed in a route of melatonin metabolism, especially active in inflammation. As AFMK is biologically more active on leukocytes than melatonin, the metabolizing of melatonin to AFMK at inflammatory sites possibly plays a role in immunomodulation. AFMK is found in the CSF of patients with meningitis, and in some samples at a remarkably high concentration, with AFMK found in some patients exceeding the concentration of melatonin normally found in serum. (PMID: 16150112) [HMDB] Acetyl-N-formyl-5-methoxykynurenamine (AFMK) results from the oxidative cleavage of the pyrrole ring during melatonin oxidation by myeloperoxidase (MPO), a superoxide anion (O)-dependent reaction. AFMK is also expected to be formed from oxidation catalyzed by the unspecific enzyme indoleamine-2,3-dioxygenase (IDO), found in a variety of cell types including monocyte/macrophage lineages. MPO- and IDO-catalyzed melatonin oxidation has the requirement of O in common, a species formed in large amounts in inflammatory conditions. The non-enzymatic formation of AFMK can also be expected by its direct reaction with highly reactive oxygen species, such as hydroxyl radical and singlet oxygen. Thus, we assume that AFMK is a product formed in a route of melatonin metabolism, especially active in inflammation. As AFMK is biologically more active on leukocytes than melatonin, the metabolizing of melatonin to AFMK at inflammatory sites possibly plays a role in immunomodulation. AFMK is found in the CSF of patients with meningitis, and in some samples at a remarkably high concentration. AFMK was also found in some patients to exceed the concentration of melatonin normally found in serum (PMID: 16150112).
Phenylacetylglutamine
Phenylacetylglutamine is a product formed from the conjugation of phenylacetate and glutamine. Technically, it is the amino acid acetylation product of phenylacetate (or phenylbutyrate after beta-oxidation). Phenylacetylglutamine is a normal constituent of human urine, but other mammals such as the dog, cat, rat, monkey, sheep, and horse do not excrete this compound. Phenylacetyl-CoA and L-glutamine react to form phenylacetylglutamine and coenzyme A. The enzyme (glutamine N-acetyl transferase) that catalyzes this reaction has been purified from human liver mitochondria and shown to be a polypeptide species distinct from glycine-N-acyltransferase. Phenylacetylglutamine is a major nitrogenous metabolite that accumulates in uremia (PMID: 2791363, 8972626). It has been shown that over 50\\\% of urine phenylacetylglutamine may be derived from kidney conjugation of free plasma phenylacetic acid and/or from the kidneys preferential filtration of conjugated phenylacetic acid (PMID: 6420430). Phenylacetylglutamine is a microbial metabolite found in Christensenellaceae, Lachnospiraceae and Ruminococcaceae (PMID: 26241311). Phenylacetylglutamine is a product formed by the conjugation of phenylacetate and glutamine. Technically it is the amino acid acetylation product of phenylacetate (or phenylbutyrate after beta-oxidation). Phenylacetylglutamine is a normal constituent of human urine, but other mammals including the dog, cat, rat, monkey, sheep and horse do not excrete this compound. Phenylacetyl CoA and glutamine react to form phenylacetyl glutamine and Coenzyme A. The enzyme (Glutamine N-acetyl transferase) that catalyzes this reaction has been purified from human liver mitochondria and shown to be a distinct polypeptide species from glycine-N-acyltransferase. Phenylacetylglutamine is a major nitrogenous metabolite that accumulates in uremia. (PMID: 2791363; PMID: 8972626). It has been shown that over 50\\\% of urine phenylacetylglutamine may be derived from kidney conjugation of free plasma phenylacetic acid and/or from the kidneys preferential filtration of conjugated phenylacetic acid (PMID: 6420430) Phenylacetylglutamine is a colonic microbial metabolite from amino acid fermentation.
N(2)-phenylacetyl-L-glutaminate
N(2)-phenylacetyl-L-glutaminate is considered to be practically insoluble (in water) and acidic
Ilicifolinoside A
Ilicifolinoside A is found in alcoholic beverages. Ilicifolinoside A is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). Ilicifolinoside A is found in alcoholic beverages and fruits.
Cinnamyl cinnamate
Cinnamyl cinnamate occurs in storax and Peruvian balsam. Cinnamyl cinnamate is a flavouring agent. Occurs in storax and Peruvian balsam. Flavouring agent
(Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside
(Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside is found in alcoholic beverages. (Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside is a constituent of Vitis vinifera (wine grape). Constituent of Vitis vinifera (wine grape). (Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-glucoside is found in alcoholic beverages and fruits.
di-Hydroxymelatonin
di-Hydroxymelatonin is a metabolite of melatonin. Melatonin Listen/ˌmɛləˈtoʊnɪn/, also known chemically as N-acetyl-5-methoxytryptamine, is a naturally occurring compound found in animals, plants, and microbes. In animals, circulating levels of the hormone melatonin vary in a daily cycle, thereby allowing the entrainment of the circadian rhythms of several biological functions. (Wikipedia)
Carbocyclic 3-deazaadenosine
C12H16N4O3 (264.12223459999996)
Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-
(R)-4-O-beta-D-glucopyranosyl-4-hydroxy-2-pentanone
2t,4t-Undecadien-8,10-diinsaeure-4,6-heptadiinylester|4,6-Heptadiynyl ester-(2E,4E)-2,4-Undecadiene-8,10-diynoic acid
O1-((Xi)-1-methyl-butyl)-beta-D-glucopyranuronic acid|O1-((Xi)-1-Methyl-butyl)-beta-D-glucopyranuronsaeure
2-(4-methoxyphenyl)-5-((E)-1-propenyl)benzofuran|2-(4-methoxyphenyl)-5-(E)-propenylbenzofuran|rataniaphenol I
13-Methyl-13,14,15,16-tetrahydro-12H-cyclopenta[a]phenanthrene-11,17-dione
(E)-4-[3-methyl-5-(prop-1-enyl)benzo[b]furan-2-yl]phenol|4-[3-methyl-5-((E)-1-propenyl)-2-benzofuranyl]phenol|4-{3-methyl-5-[(1E)-prop-1-en-1-yl]-1-benzofuran-2-yl}phenol|Eupomatenoid 6|eupomatenoid-6|rataniaphenol II
5,7a-dihydro-4-methoxy-5-(3-phenyl-2-propenylidene) benzofuran
Dehydrojuncusol
Dehydrojuncusol is a natural product found in Juncus effusus, Juncus acutus, and Juncus roemerianus with data available.
Phenylacetylglutamine
Phenylacetylglutamine is a colonic microbial metabolite from amino acid fermentation.
(Z)-2-Methyl-2-butene-1,4-diol 4-O-beta-D-Glucopyranoside
4-BORONO-2-(CYCLOHEXYLOXY)BENZOIC ACID
C13H17BO5 (264.11689820000004)
4-CHLORO-TRANS-BETA-STYRYLBORONIC ACID PINACOL ESTER
(2S,4S)-1-CBZ-4-AMINO PYRROLIDINE-2-CARBOXYLIC ACID
2,4,6-triethyl-2,4,6-trimethyl-1,3,5,2,4,6-trioxatrisilinane
(S)-1-(Benzyloxycarbonyl)hexahydropyridazine-3-carboxylic acid
ETHYL 1-(TERT-BUTYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-CARBOXYLATE
TERT-BUTYL 6-AMINO-1,4-THIAZEPANE-4-CARBOXYLATE 1,1-DIOXIDE
3-(PIPERIDIN-4-YL)ISOQUINOLIN-1(2H)-ONE HYDROCHLORIDE
4-(4-PHENYL-1H-1,2,3-TRIAZOL-1-YL)PIPERIDINE HYDROCHLORIDE
Propanedioic acid,2-(2-phenylhydrazinylidene)-, 1,3-diethyl ester
1,1-Dimethyl(2H8)-4,4-bipyridinium dichloride
C12H6Cl2D8N2 (264.10361582400003)
4-Phenylmethoxycarbonyl-2-piperazinecarboxylic acid hydrochloride
1-((Benzyloxy)carbonyl)hexahydropyridazine-3-carboxylic acid
N-(PIPERIDIN-4-YL)QUINOXALIN-2-AMINE HYDROCHLORIDE
(2R,4R)-4-amino-1-benzylpyrrolidine-2,4-dicarboxylic acid
1-[4-(3-amino-4-nitrophenyl)piperazin-1-yl]ethanone
C12H16N4O3 (264.12223459999996)
2,3,4,5-tetrahydrobenzo[f][1,4]thiazepine 1,1-dioxide hydrochloride
2-(4-FLUOROPHENYL)-4,5-DIHYDRO-2H-BENZO[G]INDAZOLE
1-Naphthaleneacetamide,N-(2-aminoethyl)-, hydrochloride (1:1)
TERT-BUTYL 4-(METHYLSULFONYL)PIPERAZINE-1-CARBOXYLATE
2-(1-(4-CHLOROPHENYL)VINYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
(R)-4-(Benzyloxycarbonyl)piperazine-2-carboxylic acid
diethyl 2-[(pyridin-2-ylamino)methylidene]propanedioate
Iprazochrome
C12H16N4O3 (264.12223459999996)
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
WARFARIN RELATED COMPOUND A (50 MG) (3-(O-HYDROXYPHENYL)-5-PHENYL-2-CYCLOHEXEN-1-ONE)
1H-INDOLE-1-CARBOXYLIC ACID,2,3-DIHYDRO-6-NITRO-,1,1-DIMETHYLETHYL ESTER
ETHYL 4-(DIETHOXYPHOSPHORYL)-3-METHYLBUT-2-ENOATE
C11H21O5P (264.11265460000004)
1-(4-FLUOROPHENYL)-3-(4-HYDROXYPHENYL)-2-PROPEN-1-ONE
(S)-1-((BENZYLOXY)CARBONYL)PIPERAZINE-2-CARBOXYLIC ACID
Ulodesine
C12H16N4O3 (264.12223459999996)
C471 - Enzyme Inhibitor > C2151 - Purine Nucleoside Phosphorylase Inhibitor
Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-morpholinecarboxamide
2,6-Diamino-8-propylsulfanylmethyl-3H-quinazoline-4-one
2-[[(2R)-2-amino-3-(4-hydroxy-3-methylbutan-2-yl)sulfanylpropanoyl]amino]acetic acid
2-[[(2R)-2-amino-3-(1-hydroxypentan-3-ylsulfanyl)propanoyl]amino]acetic acid
S-(4-hydroxy-3-methylbutan-2-yl)-L-cysteinylglycine
5,7-Dimethylspiro[cyclohexane-1,3-pyrimido[5,4-c][1,2,5]oxadiazine]-6,8-dione
C12H16N4O3 (264.12223459999996)
4-(tert-Butoxycarbonyl-hydrazonomethyl)-benzoic acid
2-Hydroxy-2-methyl-3-buten-1-yl beta-D-glucopyranoside
(3R)-5-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxypentanoic acid
(3S,4R)-4-[(2S,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxypentanoic acid
8-(5-Hydroxypentyl)-7-methyllumazine
C12H16N4O3 (264.12223459999996)
rataniaphenol II
A member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2, a methyl group at position 3 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.
N(2)-phenylacetyl-L-glutamine
An a N(2)-phenylacetylglutamine having L-configuration.
MN-64
MN-64 is a potent tankyrase 1 inhibitor, with IC50s of 6 nM, 72 nM, 19.1 μM, and 39.4 μM for TNKS1, TNKS2, ARTD1 and ARTD2, respectively.
2-[(4-hydroxy-2-methylbut-2-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
6-(3-methyl-6-phenylhexa-1,3,5-trien-1-yl)pyran-2-one
(5z)-4-methoxy-5-[(2e)-3-phenylprop-2-en-1-ylidene]-7ah-1-benzofuran
(5e,7as)-4-methoxy-5-[(2e)-3-phenylprop-2-en-1-ylidene]-7ah-1-benzofuran
5-(tetradeca-2,4,6-trien-8,10-diyn-1-ylidene)furan-2-one
12-deoxydanshenxinkun b
{"Ingredient_id": "HBIN000779","Ingredient_name": "12-deoxydanshenxinkun b","Alias": "NA","Ingredient_formula": "C18H16O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5164","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1,4-Di(p-tolyl)-trans-2-buten-1,4-dione
{"Ingredient_id": "HBIN001450","Ingredient_name": "1,4-Di(p-tolyl)-trans-2-buten-1,4-dione","Alias": "SMR000348978; NSC29008; 6N-770; ZINC00455623; (E)-1,4-bis(4-methylphenyl)but-2-ene-1,4-dione; Bionet2_000363; 5465-41-8; (2E)-1,4-Bis(4-methylphenyl)-2-butene-1,4-dione; 1,4-bis(4-methylphenyl)but-2-ene-1,4-dione; MLS001005669","Ingredient_formula": "C18H16O2","Ingredient_Smile": "CC1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=C(C=C2)C","Ingredient_weight": "264.32","OB_score": "39.89973397","CAS_id": "5465-41-8","SymMap_id": "SMIT10337","TCMID_id": "NA","TCMSP_id": "MOL009173","TCM_ID_id": "NA","PubChem_id": "883995","DrugBank_id": "NA"}
2,7-dihydroxy-1,6-dimethylpyrene
{"Ingredient_id": "HBIN005005","Ingredient_name": "2,7-dihydroxy-1,6-dimethylpyrene","Alias": "NA","Ingredient_formula": "C18H16O2","Ingredient_Smile": "CC1=C(C=CC2=C1C=CC3=CC(=C(C(=C32)C=C)C)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5860","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-isopropyl-8-methyl-3,4-phenanthraquinone
{"Ingredient_id": "HBIN005859","Ingredient_name": "2-isopropyl-8-methyl-3,4-phenanthraquinone","Alias": "NA","Ingredient_formula": "C18H16O2","Ingredient_Smile": "NA","Ingredient_weight": "264.32","OB_score": "NA","CAS_id": "87112-49-0","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8597","PubChem_id": "NA","DrugBank_id": "NA"}
2-isopropyl-8-methylphenanthrene-3,4-dione(r0-090680)
{"Ingredient_id": "HBIN005861","Ingredient_name": "2-isopropyl-8-methylphenanthrene-3,4-dione(r0-090680)","Alias": "NA","Ingredient_formula": "C18H16O2","Ingredient_Smile": "CC1=CC=CC2=C1C=CC3=C2C(=O)C(=O)C(=C3)C(C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT16071","TCMID_id": "11626","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4r)-4-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-one
2-(4-methoxyphenyl)-5-[(1e)-prop-1-en-1-yl]-1-benzofuran
4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pentan-2-one
3-(2-hydroxyethyl)-4-[(3-hydroxypropyl)amino]-1h-indole-6,7-dione
2-(4-methoxyphenyl)-5-(prop-1-en-1-yl)-1-benzofuran
1-hydroxy-1-[(2z)-8-methylundec-2-en-6-yl]-1λ⁶-disulfen-1-one
1-hydroxy-1-[(2z,6r,8s)-8-methylundec-2-en-6-yl]-1λ⁶-disulfen-1-one
7-(hydroxymethyl)-1,3-dimethoxy-hexahydro-1h-cyclopenta[c]pyran-5,6,7-triol
4-[3-methyl-5-(prop-1-en-1-yl)-1-benzofuran-2-yl]phenol
6-[(1e,3e,5e)-3-methyl-6-phenylhexa-1,3,5-trien-1-yl]pyran-2-one
(5z)-5-[(2e,4e,6e)-tetradeca-2,4,6-trien-8,10-diyn-1-ylidene]furan-2-one
(2r,3r,4s,5s,6r)-2-{[(2e)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
n-[2-(methoxycarbonyl)phenyl]-2-methylbutanediimidic acid
1-hydroxy-1-(8-methylundec-2-en-6-yl)-1λ⁶-disulfen-1-one
2-[(4-hydroxy-3-methylbut-2-en-1-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
4-methoxy-5-(3-phenylprop-2-en-1-ylidene)-7ah-1-benzofuran
4-(3-hydroxy-2-methyl-5-oxopyrrolidin-1-yl)-2-(2-methylprop-1-en-1-yl)-1,3-oxazin-6-one
(2r,3r,4s,5s,6r)-2-{[(2z)-4-hydroxy-2-methylbut-2-en-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
4-[3-methyl-5-(prop-2-en-1-yl)-1-benzofuran-2-yl]phenol
hepta-4,6-diyn-1-yl (2e,4e)-undeca-2,4-dien-8,10-diynoate
(2r)-2-hydroxy-2-[6-(methylsulfanyl)hexyl]butanedioic acid
C11H20O5S (264.10313900000006)