Exact Mass: 185.1541
Exact Mass Matches: 185.1541
Found 266 metabolites which its exact mass value is equals to given mass value 185.1541,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ecgonine
Ecgonine is an organic chemical and tropane alkaloid found naturally in coca leaves. It is has a close structural relation to cocaine: it is both a metabolite and a precursor, and as such, it is a controlled substance, as are all known substances which can be used as precursors to ecgonine itself. Structurally, ecgonine is a cycloheptane derivative with a nitrogen bridge. It is obtained by hydrolysis of cocaine with acids or alkalis, and crystallizes with one molecule of water, the crystals melting at 198-199oC. It is levorotary, and on warming with alkalis gives iso-ecgonine, which is dextrorotary. It is a tertiary base, and has the properties of an acid and an alcohol. It is the carboxylic acid corresponding to tropine, for it yields the same products on oxidation, and by treatment with phosphorus pentachloride is converted into anhydroecgonine, C9H13NO2, which, when heated to 280oC with hydrochloric acid, eliminates carbon dioxide and yields tropidine, C8H13N.(Wikipedia). Ecgonine is an organic chemical and tropane alkaloid found naturally in coca leaves. It is has a close structural relation to cocaine: it is both a metabolite and a precursor, and as such, it is a controlled substance, as are all known substances which can be used as precursors to ecgonine itself. Structurally, ecgonine is a cycloheptane derivative with a nitrogen bridge. It is obtained by hydrolysis of cocaine with acids or alkalis, and crystallizes with one molecule of water, the crystals melting at 198-199oC. It is levorotary, and on warming with alkalis gives iso-ecgonine, which is dextrorotary. It is a tertiary base, and has the properties of an acid and an alcohol. It is the carboxylic acid corresponding to tropine, for it yields the same products on oxidation, and by treatment with phosphorus pentachloride is converted into anhydroecgonine, C9H13NO2, which, when heated to 280oC with hydrochloric acid, eliminates carbon dioxide and yields tropidine, C8H13N. [HMDB] D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
Pseudoecgonine
Pseudoecgonine is a metabolic byproduct of cocaine. Cocaine is extensively metabolized in the liver, with only about 1\\% excreted unchanged in the urine. The metabolism is dominated by hydrolytic ester cleavage, so the eliminated metabolites consist mostly of benzoylecgonine, the major metabolite, and in lesser amounts ecgonine methyl ester and ecgonine. Pseudoecgonine is a steroisomer of ecgonine and may be conjugated to CoA to form Pseudoecgonyl-CoA through the action of gut microlfora (PMID: 8572717). [HMDB] Pseudoecgonine is a metabolic byproduct of cocaine. Cocaine is extensively metabolized in the liver, with only about 1\\% excreted unchanged in the urine. The metabolism is dominated by hydrolytic ester cleavage, so the eliminated metabolites consist mostly of benzoylecgonine, the major metabolite, and in lesser amounts ecgonine methyl ester and ecgonine. Pseudoecgonine is a steroisomer of ecgonine and may be conjugated to CoA to form Pseudoecgonyl-CoA through the action of gut microlfora (PMID: 8572717).
9-(Methylthio)nonanenitrile
9-(Methylthio)nonanenitrile is found in green vegetables. 9-(Methylthio)nonanenitrile is isolated from watercress (Nasturtium officinale). Isolated from watercress (Nasturtium officinale). 9-(Methylthio)nonanenitrile is found in green vegetables.
cis- and trans-5-Ethyl-4-methyl-2-(2-butyl)-thiazoline
cis- and trans-5-Ethyl-4-methyl-2-(2-butyl)-thiazoline is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
cis and trans-5-Ethyl-4-methyl-2-(2-methylpropyl)-thiazoline
cis and trans-5-Ethyl-4-methyl-2-(2-methylpropyl)-thiazoline is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
2-Hepteneoylglycine
2-Hepteneoylglycine is classified as a member of the Alpha amino acids. Alpha amino acids are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon). 2-Hepteneoylglycine is considered to be slightly soluble (in water) and acidic.
3-Hepteneoylglycine
3-Hepteneoylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 3-Hepteneoylglycine is considered to be slightly soluble (in water) and acidic.
4-Hepteneoylglycine
4-Hepteneoylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 4-Hepteneoylglycine is considered to be slightly soluble (in water) and acidic.
5-Hepteneoylglycine
5-Hepteneoylglycine is classified as a member of the N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 5-Hepteneoylglycine is considered to be slightly soluble (in water) and acidic.
2-(Diethylamino)ethyl methacrylate
Polihexanide
D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AC - Biguanides and amidines D007004 - Hypoglycemic Agents > D001645 - Biguanides D000890 - Anti-Infective Agents D004202 - Disinfectants
1-Pyrrolidinyloxy, 3-(aminocarbonyl)-2,2,5,5-tetramethyl-
Ecgonine
A tropane alkaloid that consists of tropane bearing carboxy and hydroxy substituents at positions 2 and 3 respectively and having (1R,2R,3S,5S)-configuration. It is both a metabolite of and a precursor to cocaine. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
(2E,4S)-4-hydroxy-N-(2-methylpropyl)hex-2-eneamide|piptahsine
Hexahydro-2-hydroxy-2-methyl-1H-pyrrolizine-1-carboxylic acid
8-Aethyl-2,4-dimethyl-chinolin|8-ethyl-2,4-dimethyl-quinoline
2-Diethylaminoethyl methacrylate
(Z+E)-5-ethyl-4-methyl-2-(1-methyl propyl) thiazoline
cis and trans-5-Ethyl-4-methyl-2-(2-methylpropyl)-thiazoline
1-(tert-Butoxycarbonylamino)cyclopropanecarboxaldehyde
(1r,4r)-ethyl 4-(aminomethyl)cyclohexanecarboxylate hydrochloride
4-(Aminomethyl)-1-ethyl-N,N-dimethylpiperidin-4-amine
1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
Cyclopentane carboxylicacid,1-amino-,1,1-dimethyl ethylester(9CI)
(S)-2-(4-tert-butyl-4,5-dihydrooxazol-2-yl)propan-2-ol
(S)-N-Methyl-N-(2-propynyl)-2,3-dihydroinden-1-amine
3-Methyl-4-oxo-1-piperidinecarboxylic acid ethyl ester
3-FORMYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
Carbamic acid, cyclopentyl-, 1,1-dimethylethyl ester (9CI)
3-Carbamoyl-2,2,5,5-tetramethyl-3-pyrrolidine-1-yloxy
1-Piperidinecarboxylic acid,4-oxo-,1-methylethyl ester
1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxylic acid
ethyl 1-(acetamidomethyl)cyclopropane-1-carboxylate
3-PIPERIDINECARBOXYLIC ACID, 5-METHYL-2-OXO-, ETHYL ESTER
2,2-DiMethyl-3-oxo-pyrrolidine-1-carboxylicacidethylester
N,N,N-trimethyl-N-piperidin-4-ylethane-1,2-diamine
3-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
3-Pyrrolidinecarboxylic acid, 4,4-dimethyl-2-oxo-, ethyl ester
1,2-Dimethyl-5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinoline
(3R,6R)-6-hydroxy-3-isopropenylheptanoate
An optically active form of 6-hydroxy-3-isopropenylheptanoate having (3R,6R)-configuration. Product of the hydrolysis of (4R,7R)-4-isopropenyl-7-methyloxepan-2-one.
(3S,6R)-6-hydroxy-3-isopropenylheptanoate
An optically active form of 6-hydroxy-3-isopropenylheptanoate having (3R,6R)-configuration. Product of the hydrolysis of (4S,7R)-4-isopropenyl-7-methyloxepan-2-one.
3-Oxodecanoate
A 3-oxo monocarboxylic acid anion that is the conjugate base of 3-oxodecanoic acid, obtained by deprotonation of the carboxy group.
6-Hydroxy-3-isopropenylheptanoate
A hydroxy monocarboxylic acid anion that is the conjugate base of 6-hydroxy-3-isopropenylheptanoic acid, arising from deprotonation of the carboxy group. Product of the hydrolysis of 4-isopropenyl-7-methyloxepan-2-one.
(2S)-2-amino-3-[(1R,4R)-4-hydroxycyclohex-2-en-1-yl]propanoate
(2S)-2-amino-3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]propanoate
(2S)-2-amino-3-[(1R,4R)-4-hydroxycyclohex-2-en-1-yl]propanoic acid
(2S)-2-amino-3-[(1S,4R)-4-hydroxycyclohex-2-en-1-yl]propanoic acid
1-Pyrrolidinyloxy, 3-(aminocarbonyl)-2,2,5,5-tetramethyl-
Tetrahydrotyrosine
An alpha-amino acid that is alanine substituted at position 3 by a 4-hydroxycyclohex-2-en-1-yl group
4,8-Dimethylnonanoate
A branched-chain saturated fatty acid anion that is nonanoate with methyl branches at C-4 and C-8. Major species at pH 7.3.
2-Ammonio-3-(4-hydroxycyclohex-2-en-1-yl)propanoate
N-isovaleryl-L-homoserine lactone
An N-acyl-L-homoserine lactone having isovaleryl as the acyl substituent.
Undecanoate
A medium-chain fatty acid anion that is the conjugate base of undecanoic acid; used in tandem with testosterone cation in the treatment of male hypogonadism. Major species at pH 7.3.
(2R,3S)-3-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics
tetrahydrotyrosine zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of tetrahydrotyrosine; major species at pH 7.3.
2-oxodecanotate
A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxodecanoic acid arising from the deprotonation of the carboxy group; major species at pH 7.3.
(1s,5r,9ar)-1-(hydroxymethyl)-octahydro-1h-quinolizin-5-ium-5-olate
2,6-dimethyl-6-nitro-2-hepten-4-one
{"Ingredient_id": "HBIN004923","Ingredient_name": "2,6-dimethyl-6-nitro-2-hepten-4-one","Alias": "NA","Ingredient_formula": "C9H15NO3","Ingredient_Smile": "CC(=CC(=O)CC(C)(C)[N+](=O)[O-])C","Ingredient_weight": "185.22 g/mol","OB_score": "63.22808086","CAS_id": "NA","SymMap_id": "SMIT04202","TCMID_id": "NA","TCMSP_id": "MOL001849","TCM_ID_id": "NA","PubChem_id": "557916","DrugBank_id": "NA"}
4-(3-methylbut-2-enyl)-1H-indole
{"Ingredient_id": "HBIN009911","Ingredient_name": "4-(3-methylbut-2-enyl)-1H-indole","Alias": "4-(3-Methyl-2-butenyl)-1H-indole; 1H-Indole, 4-(3-methyl-2-butenyl)-","Ingredient_formula": "C13H15N","Ingredient_Smile": "CC(=CCC1=C2C=CNC2=CC=C1)C","Ingredient_weight": "185.26 g/mol","OB_score": "39.71549685","CAS_id": "NA","SymMap_id": "SMIT04205","TCMID_id": "NA","TCMSP_id": "MOL001852","TCM_ID_id": "NA","PubChem_id": "598515","DrugBank_id": "NA"}
baogongteng A
{"Ingredient_id": "HBIN017572","Ingredient_name": "baogongteng A","Alias": "NA","Ingredient_formula": "C9H15NO3","Ingredient_Smile": "CC(=O)OC1CC2C(CCC1N2)O","Ingredient_weight": "185.22","OB_score": "0.438186507","CAS_id": "74239-84-2","SymMap_id": "SMIT02867","TCMID_id": "NA","TCMSP_id": "MOL000220","TCM_ID_id": "NA","PubChem_id": "102004950","DrugBank_id": "NA"}
