Exact Mass: 167.0547
Exact Mass Matches: 167.0547
Found 500 metabolites which its exact mass value is equals to given mass value 167.0547,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Pyridoxal
Pyridoxal is a pyridinecarbaldehyde that is pyridine-4-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 5 respectively. Pyridoxal, also known as pyridoxaldehyde, belongs to the class of organic compounds known as pyridoxals and derivatives. Pyridoxals and derivatives are compounds containing a pyridoxal moiety, which consists of a pyridine ring substituted at positions 2, 3, 4, and 5 by a methyl group, a hydroxyl group, a carbaldehyde group, and a hydroxymethyl group, respectively. Pyridoxal is one form of vitamin B6. Pyridoxal exists in all living species, ranging from bacteria to humans. In humans, pyridoxal is involved in glycine and serine metabolism. Pyridoxal has been detected, but not quantified in several different foods, such as sourdoughs, lichee, arctic blackberries, watercress, and cottonseeds. Some medically relevant bacteria, such as those in the genera Granulicatella and Abiotrophia, require pyridoxal for growth. This nutritional requirement can lead to the culture phenomenon of satellite growth. In in vitro culture, these pyridoxal-dependent bacteria may only grow in areas surrounding colonies of bacteria from other genera ("satellitism") that are capable of producing pyridoxal. Pridoxal has a role as a cofactor, a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite.
3-Methoxyanthranilate
This compound belongs to the family of M-methoxybenzoic Acids and Derivatives. These are benzoic acids in which the hydrogen atom at position 3 of the benzene ring is replaced by a methoxy group
Taurocyamine
Taurocyamine is a guanidino-taurine analogue derived from taurine. It is an intermediate of taurine and hypotaurine metabolism. The concentration of taurocyamine present in the human urine and serum could be as low as 8-78 pmol/ml. (PMID: 6520173) Plasma levels of taurocyamine are significantly increased in patients with chronic renal failure with or without hemodialysis. (PMID: 10516995). Taurocyamine is an endogenous alkaline "shifter". It effectively reduces the extent of brain intracellular lactic acidosis brought about by anoxic insult. A pH alkaline shift may protect the brain against the deleterious effects of lactic acidosis. (PMID: 8241459). Taurocyamine is an inhibitor of taurine transport and a glycine receptor antagonist in the brain (PMID: 12411417). [HMDB] Taurocyamine is a guanidino-taurine analogue derived from taurine. It is an intermediate of taurine and hypotaurine metabolism. The concentration of taurocyamine present in the human urine and serum could be as low as 8-78 pmol/ml. (PMID: 6520173) Plasma levels of taurocyamine are significantly increased in patients with chronic renal failure with or without hemodialysis. (PMID: 10516995). Taurocyamine is an endogenous alkaline "shifter". It effectively reduces the extent of brain intracellular lactic acidosis brought about by anoxic insult. A pH alkaline shift may protect the brain against the deleterious effects of lactic acidosis. (PMID: 8241459). Taurocyamine is an inhibitor of taurine transport and a glycine receptor antagonist in the brain (PMID: 12411417).
D-4-Hydroxyphenylglycine
The D-enantiomer of 4-hydroxyphenylglycine. A non-proteinogenic amino acid found in Herpetosiphon aurantiacus. D004791 - Enzyme Inhibitors
Isopyridoxal
Isopyridoxal is an active vitamer of the B6 complex in humans. (PMID 2208740). Vitamin B(6) is an essential component in human diet. (PMID 12686115). Vitamin B6 status (together with other vitamins from the B complex) is also related to Hyperhomocysteinemia, which has been linked to an increased risk for cardiovascular (CV) disease. (PMID 16407736). Isopyridoxal is an active vitamer of the B6 complex in humans. (PMID 2208740)
2,4-Diamino-6-nitrotoluene
This compound belongs to the family of Nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
2,6-Diamino-4-nitrotoluene
A member of the class of amino-nitrotoluenes that is 2,6-diaminotoluene bearing a nitro substituent at position 4.
oxfenicine
C26170 - Protective Agent > C2079 - Cardioprotective Agent The L-enantiomer of 4-hydroxyphenylglycine. D004791 - Enzyme Inhibitors Same as: D05292 Oxfenicine (L-p-Hydroxyphenylglycine) is an orally active carnitine palmitoyltransferase-1 inhibitor. Oxfenicine inhibits the oxidation of fatty acid in heart. Oxfenicine protects heart from necrotic tissue damage during ischaemia[1][2].
8-Hydroxyguanine
Formation of 8-hydroxyguanine (8-OHG), a mutagenic base which is a marker for OH-mediated DNA damage, requires peroxidase and halides and occurs in the presence of transition metal chelators (DTPA +/- desferrioxamine), and is inhibited by catalase, superoxide dismutase (SOD), and scavengers of hypohalous acids. (PMID 10820020). 8-Hydroxyguanine is an oxidative stress marker for diagnosis of Alzheimers disease (AD). (PMID 15977989). Formation of 8-hydroxyguanine (8-OHG), a mutagenic base which is a marker for OH-mediated DNA damage, requires peroxidase and halides and occurs in the presence of transition metal chelators (DTPA +/- desferrioxamine), and is inhibited by catalase, superoxide dismutase (SOD), and scavengers of hypohalous acids. (PMID 10820020)
(S)-Spinacine
(S)-Spinacine is found in beverages. (S)-Spinacine is isolated from the crab (Crango vulgaris), from the liver of the shark (Acanthias vulgaris) and from spinach. Also isolated from the roots of Panax ginsen Spinacine is an endogenous metabolite.
2,8-Dihydroxyadenine
2,8-Dihydroxyadenine is a Purine metabolite usually not detectable in biofluids of normal individuals; this insoluble metabolite (at physiological urinary pH) cause urinary tract calculi and arthritis, and is identified in Adenine phosphoribosyltransferase deficiency (APRT, OMIM 102600). (PMID 16613999) In APRT, 2,8-dihydroxyadenine (DHA) accumulates in crystals within the tubular lumens (a feature of many kidney stone diseases) creating crystal-induced injury in human kidney epithelial cells. (PMID 16374038) Urinary DHA crystals are easily recognized under a microscope, and effective treatment can be offered and therefore the prognosis depends upon the renal function at diagnosis; treatment consists of adequate fluid intake, a low-purine diet and administration of allopurinol. (PMID 15764278) [HMDB] 2,8-Dihydroxyadenine is a Purine metabolite usually not detectable in biofluids of normal individuals; this insoluble metabolite (at physiological urinary pH) cause urinary tract calculi and arthritis, and is identified in Adenine phosphoribosyltransferase deficiency (APRT, OMIM 102600). (PMID 16613999) In APRT, 2,8-dihydroxyadenine (DHA) accumulates in crystals within the tubular lumens (a feature of many kidney stone diseases) creating crystal-induced injury in human kidney epithelial cells. (PMID 16374038) Urinary DHA crystals are easily recognized under a microscope, and effective treatment can be offered and therefore the prognosis depends upon the renal function at diagnosis; treatment consists of adequate fluid intake, a low-purine diet and administration of allopurinol. (PMID 15764278).
Zapotidine
Zapotidine is found in pomes. Minor alkaloid from the seeds of Casimiroa edulis (Mexican apple
3alpha,4,5,7alpha-Tetrahydro-5-hydroxy-1H-isoindole-1,3(2H)-dione
3alpha,4,5,7alpha-Tetrahydro-5-hydroxy-1H-isoindole-1,3(2H)-dione is found in milk and milk products. Potential food contaminant arising from the metabolism of Captan
3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione
3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione is found in milk and milk products. Potential food contaminant arising from the metabolism of Captan
2-Hydroxy-N-(2-hydroxyphenyl)acetamide
2-Hydroxy-N-(2-hydroxyphenyl)acetamide (HHPAA) is a benzoxazinoid metabolite. It is a potential urinary biomarker of whole grain intake (PMID: 26264776).
4-Hydroxyphenylglycine
D004791 - Enzyme Inhibitors
(2E)-2-butylidene-4-hydroxy-5-methyl-3(2H)-furanone
(2e)-2-butylidene-4-hydroxy-5-methyl-3(2h)-furanone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (2e)-2-butylidene-4-hydroxy-5-methyl-3(2h)-furanone can be found in a number of food items such as yardlong bean, pepper (c. annuum), common grape, and alfalfa, which makes (2e)-2-butylidene-4-hydroxy-5-methyl-3(2h)-furanone a potential biomarker for the consumption of these food products.
6-isobutyl-4-hydroxy-2-pyrone
6-isobutyl-4-hydroxy-2-pyrone belongs to pyranones and derivatives class of compounds. Those are compounds containing a pyran ring which bears a ketone. 6-isobutyl-4-hydroxy-2-pyrone is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 6-isobutyl-4-hydroxy-2-pyrone can be found in a number of food items such as chinese cabbage, chervil, mustard spinach, and red algae, which makes 6-isobutyl-4-hydroxy-2-pyrone a potential biomarker for the consumption of these food products.
1H-Benzo[g]indole
http://casmi-contest.org/challenges-cat1-2.shtml; CASMI2012 LC Challenge 14
3alpha,4beta-dihydroxy-6-oxo-1-cyclohexene-1-acetonitrile
5-Amino-furfurol-acetylhydrazon|5-Aminofurfurol-acetylhydrazon
methyl 1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate
N-(4-ethenyl-4-hydroxy-3-oxocyclopenten-1-yl)formamide
pyridoxal
A pyridinecarbaldehyde that is pyridine-4-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 5 respectively. The 4-carboxyaldehyde form of vitamin B6, it is converted into pyridoxal phosphate, a coenzyme for the synthesis of amino acids, neurotransmitters, sphingolipids and aminolevulinic acid. D018977 - Micronutrients > D014815 - Vitamins relative retention time with respect to 9-anthracene Carboxylic Acid is 0.055 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.052 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.053
Isopyridoxal
A pyridinecarbaldehyde that is pyridine-5-carbaldehyde bearing methyl, hydroxy and hydroxymethyl substituents at positions 2, 3 and 4 respectively.
4-Hydroxyphenylglycine
A glycine molecule carrying a 4-hydroxyphenyl substituent. D004791 - Enzyme Inhibitors
2,8-Dihydroxyadenine
A member of the class of 6-aminopurines that is adenine bearing two hydroxy substituents at positions 2 and 8. It is a highly insoluble metabolite of adenine that causes radiolucent urolithiasis. It is produced by individuals who suffer from adenine phosphoribosyltransferase (APRT) deficiency, a rare autosomal recessive error of purine metabolism.
1,2,3,4-tetrahydro-4-Hydroxyphthalimide
1,2,3,6-tetrahydro-3-Hydroxyphthalimide
1-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid methyl ester
2-AMINO-2-METHYL-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE
1H-Imidazo[4,5-c]pyridine-4-carboxylicacid,4,5,6,7-tetrahydro-(9CI)
5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRAZINE-2-CARBOXYLIC ACID
C-(2-METHYL-IMIDAZO[2,1-B]THIAZOL-6-YL)-METHYLAMINE
Methyl 1-methyl-6-oxo-1,6-dihydropyridine-2-carboxylate
1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid methyl ester
4,5,6,7-Tetrahydro-2,1-benzisoxazole-3-carboxylic acid
6-Ethyl-2-oxo-1,2-dihydro-pyridine-4-carboxylic acid
5H-Pyrrolo[2,1-c]-1,2,4-triazole-5-carboxylicacid,6,7-dihydro-3-methyl-(9CI)
(13S,14S,17S)-13-ETHYL-3-METHOXY-6,7,11,12,14,15,16,17-OCTAHYDROCYCLOPENTA[A]PHENANTHREN-17-OL
(2,3-DIHYDRO-[1,4]DIOXINO[2,3-B]PYRIDIN-6-YL)METHANOL
Phosphonic acid,(1-amino-2-methylbutyl)- (8CI,9CI)
1-BENZYL 2-METHYL (S)-(-)-1,2-AZIRIDINEDICARBOXYLATE
(2,3-DIHYDRO-[1,4]DIOXINO[2,3-C]PYRIDIN-7-YL)METHANOL
(r)-2-amino-2-methyl-butyric acid methyl ester hydrochloride
6-methyl-2-(methylamino)pyrimidine-4-carboxylic acid
2-Amino-6-hydroxy-5-(2-propenyl)-4(1H)-pyrimidinone
5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
Aminolevulinic acid hydrochloride
D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents C1420 - Photosensitizing Agent D003879 - Dermatologic Agents 5-Aminolevulinic acid hydrochloride (5-ALA hydrochloride) is an intermediate in heme biosynthesis in the body and the universal precursor of tetrapyrroles.
5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
(S)-Methyl 2-amino-2-methylbutanoate hydrochloride
(3R,5S)-5-(HYDROXYMETHYL)-1-METHYLPYRROLIDIN-3-OL HYDROCHLORIDE
2-fluoro-4-isocyanato-1-methoxybenzene(SALTDATA: FREE)
(3ALPHAR,6ALPHAS)-TETRAHYDRO-1H-CYCLOPENTA[C]FURAN-1,3(3AH)-DIONE(3)
5,6-DIAMINOPYRIDINE-3-CARBOXYLIC ACID METHYL ESTER
(2,3-Dihydro-[1,4]dioxino[2,3-b]pyridin-7-yl)-methanol
N-methyltetrahydro-2H-thiopyran-4-amine(SALTDATA: HCl)
5-CYCLOPROPYL-ISOXAZOLE-3-CARBOXYLIC ACID METHYL ESTER
(R)-2-(Aminomethyl)-3-methylbutanoic acid hydrochloride
O-ACETYL-N-(TERT-BUTYL)HYDROXYLAMINE HYDROCHLORIDE
Pyrrole-3-carboxylic acid, 4-acetyl-5-methyl- (6CI)
(S)-2-(Aminomethyl)-3-methylbutanoic acid hydrochloride
4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
Ethanone, 1-[5-fluoro-2-(methylamino)phenyl]- (9CI)
4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carbaldehyde
Methyl 3-Amino-2,2-dimethylpropanoate Hydrochloride
3-CHLORO-5-METHYL-7-(TRIFLUOROMETHYL)PYRAZOLO-[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID
4-Oxo-1,4-dihydro-pyridine-3-carboxylicacidethylester
1H-Imidazo[4,5-c]pyridine-6-carboxylicacid,4,5,6,7-tetrahydro-,(6R)-(9CI)
5,6-Dimethyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
(Z,E)-N-Hydroxy-2-(2-oxopyridin-1(2H)-yl)ethanimidamide
methyl 5-methyl-1-oxidopyridin-1-ium-2-carboxylate
Phosphoramidic acid, (1-methylethyl)-, monoethyl ester
4-Methyl-3,4-dihydro-[1,2,3]triazolo[4,5-d]pyrimidine-5,7-dione
(3R,4R,5S,6R)-6-Fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate
Myrothenone A
An alicyclic ketone which is 3-oxocyclopent-1-ene substituted by a formamido group at position 1 as well as vinyl and hydroxy groups at position 4. It is isolated from a marine derived fungus Myrothecium sp. and acts as an inhibitor of tyrosinase enzyme (EC 1.14.18.1).
3-Methoxyanthranilic acid
An aminobenzoic acid that is anthranilic acid in which the hydrogen at position 3 is substituted by a methoxy group. It is a metabolite of kynurenine.
4-Methyl-3-hydroxyanthranilic acid
An aminobenzoic acid that is anthranilic acid substituted by a hydroxy group at position 3 and a methyl group at position 4.
2,4-Diamino-6-nitrotoluene
A member of the class of amino-nitrotoluenes that is 2,4-diaminotoluene bearing a nitro substituent at position 6.
5-hydroxy-2,3,3a,4,5,7a-hexahydro-1H-isoindole-1,3-dione
3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione
2,8-dioxoadenine
An oxopurine that is adenine bearing two oxo substituents at positions 2 and 8.
D-4-hydroxyphenylglycine zwitterion
A D-alpha-amino acid zwitterion that is D-4-hydroxyphenylglycine in which a proton has been transferred from the carboxy group to the amino group. It is the major species at pH 7.3.
(3z)-3-(1-aminoethylidene)-6-methylpyran-2,4-dione
2-(4-hydroxyphenyl)-1-nitroethane
{"Ingredient_id": "HBIN004413","Ingredient_name": "2-(4-hydroxyphenyl)-1-nitroethane","Alias": "NA","Ingredient_formula": "C8H9NO3","Ingredient_Smile": "C1=CC(=CC=C1CC[N+](=O)[O-])O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10628","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
