Exact Mass: 245.1177632
Exact Mass Matches: 245.1177632
Found 136 metabolites which its exact mass value is equals to given mass value 245.1177632,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
OR-1896
OR-1896 is a metabolite of levosimendan. Levosimendan is a calcium sensitiser used in the management of acutely decompensated congestive heart failure. It is marketed under the trade name Simdax. (Wikipedia)
3-Oxobutanoylcarnitine
3-oxobutanoylcarnitine is an acylcarnitine. More specifically, it is an 3-oxobutanoic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 3-oxobutanoylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-oxobutanoylcarnitine is a member of the most abundant group of carnitines in the body, comprising more than 50\\% of all acylcarnitines quantified in tissues and biofluids (PMID: 31920980). Some short-chain carnitines have been studied as supplements or treatments for a number of diseases, including neurological disorders and inborn errors of metabolism. Carnitine acetyltransferase (CrAT, EC:2.3.1.7) is responsible for the synthesis of all short-chain and short branched-chain acylcarnitines (PMID: 23485643). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
[(1R,5R)-5-(6-Aminopurin-9-yl)cyclohex-3-en-1-yl]methanol
(R)-2-(4-(Tert-butoxycarbonyl)morpholin-3-yl)acetic acid
N-[4-(4-Methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]acetamide
N-Hexamethylene N',N'-diethylene thiophosphoramide
4-Acetamidoantipyrin
A member of the class of pyrazoles that is antipyrine substituted by an acetylamino group at position 4. It is a drug metabolite of metamizole. CONFIDENCE standard compound; INTERNAL_ID 2001 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1010 CONFIDENCE standard compound; INTERNAL_ID 4082 CONFIDENCE standard compound; EAWAG_UCHEM_ID 236
1,6-dihydro-6-imino-1,7-dimethyl-3-((E)-3-methylbuta-1,3-dienyl)-3H-purin-2(7H)-one|dioicine
N-[(2-fluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
C15H16FNO (245.12158579999996)
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine
C15H16FNO (245.12158579999996)
tert-Butyl 4-carbamothioylpiperazine-1-carboxylate
(2S,4S)-1-(tert-Butoxycarbonyl)-4-methoxypyrrolidine-2-carboxylic acid
(S)-2-(4-(tert-Butoxycarbonyl)morpholin-3-yl)acetic acid
(R)-3-METHYL-1-(3-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZINE
TERT-BUTYL 3-(ETHOXYCARBONYL)-2-OXOPROPYLCARBAMATE
(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxyhexahydro-2-pyridinecarboxylic acid
1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPIPERIDINE-4-CARBOXYLIC ACID
1-Tert-butyl2-Methyl4-hydroxypyrrolidine-1,2-dicarboxylate
(2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(HYDROXYMETHYL)PYRROLIDINE-2-CARBOXYLIC ACID
(4-FLUORO-BENZYL)-(4-METHOXY-BENZYL)-AMINE
C15H16FNO (245.12158579999996)
(2S,3R)-1-tert-Butyl 2-methyl 3-hydroxypyrrolidine-1,2-dicarboxylate
2-hydroxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
(S)-3-(TERT-BUTOXYCARBONYL)-2,2-DIMETHYLOXAZOLIDINE-4-CARBOXYLIC ACID
(2S)-1-TERT-BUTYL 2-METHYL 5-HYDROXYPYRROLIDINE-1,2-DICARBOXYLATE
5-AMINO-1-P-TOLYL-1H-PYRAZOLE-4-CARBOXYLICACIDETHYLESTER
2-AMINO-3-(3-BENZYL-3H-IMIDAZOL-4-YL)-PROPIONIC ACID
Carbamic acid,N,N-dimethyl-, 3-methyl-1-phenyl-1H-pyrazol-5-yl ester
benzyl N-(1H-imidazol-2-ylmethyl)-N-methylcarbamate
ETHYL 1-BENZYL-5-METHYL-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
(3-HYDROXYMETHYL-PYRROLIDIN-3-YL)-CARBAMICACIDTERT-BUTYLESTER
Methyl trans-4-aminoadamantane-1-carboxylate hydrochloride
C12H20ClNO2 (245.11824900000002)
1-(tert-Butoxycarbonyl)-4-hydroxypiperidine-4-carboxylic acid
ethyl 5-amino-1-(4-methylphenyl)-1h-pyrazole-4-carboxylate
5-AMINO-1-P-TOLYL-1H-PYRAZOLE-3-CARBOXYLICACIDETHYLESTER
(2S,3S)-1-(TERT-BUTOXYCARBONYL)-3-HYDROXYPYRROLIDINE-2-CARBOXYLICACIDMETHYLESTER
4-tert-Butyl 2-methyl morpholine-2,4-dicarboxylate
3-CARBOXYMETHOXY-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
1-(TERT-BUTOXYCARBONYL)-4-HYDROXYPIPERIDINE-2-CARBOXYLIC ACID
1-METHYL-4-(5-(TRIFLUOROMETHYL)PYRIDIN-2-YL)PIPERAZINE
(2S,4S)-1-tert-Butyl 2-methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
2C-E (hydrochloride) (exempt preparation)
C12H20ClNO2 (245.11824900000002)
1-tert-butyl 3-methyl 3-hydroxypyrrolidine-1,3-dicarboxylate
(R)-methyl N-tert-butoxycarbonylmorpholine-3-carboxylate
(2S,4S)-4-((TETRAHYDRO-2H-PYRAN-4-YL)METHYL)GLUTAMICACID
N-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)methanamine
C15H16FNO (245.12158579999996)
(2R,4R)-4-Hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-piperidinecarboxylic acid
2-CYANO-6-METHOXYPHENYL BORONIC ACID NEOPENTYL GLYCOL ESTER
2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)-6-methoxybenzonitrile
ethyl 2-((2-methyl-1h-indol-3-yl)methylene)hydrazinecarboxylate
3-hydroxy-1,2-Piperidinedicarboxylic acid 1-(1,1-diMethylethyl) ester
cis-4-AMino-1-Methoxycarbonyl AdaMantane Hydrochloride
C12H20ClNO2 (245.11824900000002)
ETHYL 1-(4-AMINOPHENYL)-5-METHYL-1H-PYRAZOLE-4-CARBOXYLATE
(R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
4-Pyrimidinamine, 2-methoxy-6-((4-methoxyphenyl)methyl)-
Methyl (3s)-3-[(Tert-Butoxycarbonyl)amino]-4-Oxopentanoate
(2S)-2-(2-carboxylatoethylamino)-5-(diaminomethylideneazaniumyl)pentanoate
(2S)-2-azaniumyl-5-{[(1S)-1-carboxylato-2-methylpropyl]amino}-5-oxopentanoate
Acremolin B
An imidazopurine that is 4,5-dihydro-1H-imidazo[2,1-b]purine substituted by methyl, oxo, methyl, and isopropyl groups at positions 1, 4, 5, and 7, respectively. It is a natural product isolated from the deep-sea-derived fungus Aspergillus sp. SCSIO Ind09F01.
D-octopine(1-)
An D-alpha-amino acid anion arising from deprotonation of the carboxy groups and protonation of the guanidino group of D-octopine.
gamma-Glu-Val(1-)
A peptide anion that is the conjugate base of gamma-Glu-Val, obtained by removal of protons from the two carboxy groups as well as protonation of the amino group; major species at pH 7.3.