Exact Mass: 185.1052
Exact Mass Matches: 185.1052
Found 97 metabolites which its exact mass value is equals to given mass value 185.1052,
within given mass tolerance error 4.0E-5 dalton. Try search metabolite list with more accurate mass tolerance error
8.0E-6 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).
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.
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
Hexahydro-2-hydroxy-2-methyl-1H-pyrrolizine-1-carboxylic acid
1-(tert-Butoxycarbonylamino)cyclopropanecarboxaldehyde
1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
3-Methyl-4-oxo-1-piperidinecarboxylic acid ethyl ester
3-FORMYL-AZETIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
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
3-Pyrrolidinecarboxylic acid, 4,4-dimethyl-2-oxo-, ethyl ester
(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
Tetrahydrotyrosine
An alpha-amino acid that is alanine substituted at position 3 by a 4-hydroxycyclohex-2-en-1-yl group
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.
(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.
2,6-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"}
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"}
