Exact Mass: 247.1446454

Exact Mass Matches: 247.1446454

Found 64 metabolites which its exact mass value is equals to given mass value 247.1446454, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Threonyllysine

(2S)-6-Amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoic acid

C10H21N3O4 (247.1531986)


Threonyllysine is a dipeptide composed of threonine and lysine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

3-Hydroxybutyrylcarnitine

(3S)-3-{[(3R)-3-hydroxybutanoyl]oxy}-4-(trimethylazaniumyl)butanoic acid

C11H21NO5 (247.1419656)


3-Hydroxybutyrylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxybutyric 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-Hydroxybutyrylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine 3-hydroxybutyrylcarnitine 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. In particular 3-hydroxybutyrylcarnitine is elevated in the blood or plasma of individuals with short-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (PMID: 11489939, PMID: 15870679), prediabetes (PMID: 28505362), T2DM (PMID: 28505362), metallosis (PMID: 30271721), mitochondrial acetoacetyl-coa thiolase deficiency (PMID: 20157782), and heart failure (PMID: 25881932). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). 3-Hydroxybutyrylcarnitine is elevated in the urine of individuals with renal cell carcinoma (PMID: 29658093). 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].

   

Lysylthreonine

(2S,3R)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxybutanoic acid

C10H21N3O4 (247.1531986)


Lysylthreonine is a dipeptide composed of lysine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Dipeptides are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Some dipeptides are known to have physiological or cell-signalling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.

   

(R)-3-hydroxybutyrylcarnitine

(3R)-3-[(3-hydroxybutanoyl)oxy]-4-(trimethylazaniumyl)butanoate

C11H21NO5 (247.1419656)


(R)-3-Hydroxybutyrylcarnitine is an acylcarnitine. More specifically, it is an 3-hydroxybutanoic 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. (R)-3-Hydroxybutyrylcarnitine is therefore classified as a short chain AC. As a short-chain acylcarnitine (R)-3-hydroxybutyrylcarnitine 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. In particular (R)-3-hydroxybutyrylcarnitine is elevated in the blood or plasma of individuals with short-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (PMID: 11489939, PMID: 15870679), prediabetes (PMID: 28505362), T2DM (PMID: 28505362), metallosis (PMID: 30271721), mitochondrial acetoacetyl-coa thiolase deficiency (PMID: 20157782), and heart failure (PMID: 25881932). It is also decreased in the blood or plasma of individuals with psoriasis (PMID: 33391503). (R)-3-Hydroxybutyrylcarnitine is elevated in the urine of individuals with renal cell carcinoma (PMID: 29658093). 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].

   

Peramine

N-(3-{2-methyl-1-oxo-1H,2H-pyrrolo[1,2-a]pyrazin-3-yl}propyl)guanidine

C12H17N5O (247.1433032)


   

N1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-2-cyano-3-(dimethylamino)acrylamide

N1-(1,3,5-Trimethyl-1H-pyrazol-4-yl)-2-cyano-3-(dimethylamino)acrylamide

C12H17N5O (247.1433032)


   

Me glycoside,N-Ac,4,6-dimesyl-alpha-D-Pyranose-2-Amino-2,3-dideoxy-ribo-hexopyranose

Me glycoside,N-Ac,4,6-dimesyl-alpha-D-Pyranose-2-Amino-2,3-dideoxy-ribo-hexopyranose

C11H21NO5 (247.1419656)


   

Me glycoside,N-Ac,2,4-dimesyl-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose

Me glycoside,N-Ac,2,4-dimesyl-beta-D-Pyranose-3-Amino-3,6-dideoxygalactose

C11H21NO5 (247.1419656)


   

4,6-Dideoxy-3-C-methyl-4-(methuylamino)mannose,9CI-beta-D-Pyranose-form-Me glycoside,N-Ac

4,6-Dideoxy-3-C-methyl-4-(methuylamino)mannose,9CI-beta-D-Pyranose-form-Me glycoside,N-Ac

C11H21NO5 (247.1419656)


   
   
   
   

Lys-THR

6-amino-2-(2-amino-3-hydroxybutanamido)hexanoic acid

C10H21N3O4 (247.1531986)


A dipeptide formed from L-lysine and L-threonine residues.

   

THR-Lys

2-(2,6-diaminohexanamido)-3-hydroxybutanoic acid

C10H21N3O4 (247.1531986)


   

CAR 4:0;O

3-[(3-hydroxybutanoyl)oxy]-4-(trimethylammonio)butanoate;beta-hydroxybutyrylcarnitine

C11H21NO5 (247.1419656)


   

n-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

n-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

C13H18BNO3 (247.13796680000002)


   

N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

C13H18BNO3 (247.13796680000002)


   

6-[2-(2-ethyl-4-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

6-[2-(2-ethyl-4-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine

C11H17N7 (247.1545362)


   

4-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID

4-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID

C13H18BNO3 (247.13796680000002)


   

5-Acetylpyridine-3-boronic acid pinacol ester

5-Acetylpyridine-3-boronic acid pinacol ester

C13H18BNO3 (247.13796680000002)


   

2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PIPERIDINE HYDROCHLORIDE

2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PIPERIDINE HYDROCHLORIDE

C11H23BClNO2 (247.1510278)


   

3-ALLYL-1-METHYL-2-PHENYLINDOLE

3-ALLYL-1-METHYL-2-PHENYLINDOLE

C18H17N (247.1360922)


   

[4-[(cyclopentanecarbonylamino)methyl]phenyl]boronic acid

[4-[(cyclopentanecarbonylamino)methyl]phenyl]boronic acid

C13H18BNO3 (247.13796680000002)


   

(S)-Methyl 4-[(tert-butoxycarbonyl)amino]-5-hydroxypentanoate

(S)-Methyl 4-[(tert-butoxycarbonyl)amino]-5-hydroxypentanoate

C11H21NO5 (247.1419656)


   

[3-(Cyclohexylcarbamoyl)phenyl]boronic acid

[3-(Cyclohexylcarbamoyl)phenyl]boronic acid

C13H18BNO3 (247.13796680000002)


   

[4-(Cyclohexylcarbamoyl)phenyl]boronic acid

[4-(Cyclohexylcarbamoyl)phenyl]boronic acid

C13H18BNO3 (247.13796680000002)


   

(6-((1-(TERT-BUTYL)-1H-PYRAZOL-5-YL)AMINO)PYRAZIN-2-YL)METHANOL

(6-((1-(TERT-BUTYL)-1H-PYRAZOL-5-YL)AMINO)PYRAZIN-2-YL)METHANOL

C12H17N5O (247.1433032)


   

4-p-tolyl-1,2,3,4-tetrahydrocyclopenta[b]indole

4-p-tolyl-1,2,3,4-tetrahydrocyclopenta[b]indole

C18H17N (247.1360922)


   

ETHANONE,1-[(2R)-TETRAHYDRO-2-FURANYL]-(9CI)

ETHANONE,1-[(2R)-TETRAHYDRO-2-FURANYL]-(9CI)

C15H18FNO (247.137235)


   

2-Acetylpyridine-4-boronic acid pinacol ester

2-Acetylpyridine-4-boronic acid pinacol ester

C13H18BNO3 (247.13796680000002)


   

2-(indol-1-ylmethoxy)ethyl-trimethylsilane

2-(indol-1-ylmethoxy)ethyl-trimethylsilane

C14H21NOSi (247.1392336)


   

tert-butyl-(1H-indol-6-yloxy)-dimethylsilane

tert-butyl-(1H-indol-6-yloxy)-dimethylsilane

C14H21NOSi (247.1392336)


   
   

DI-TERT-BUTYL(METHYL)PHOSPHONIUM TETRAFLUOROBORATE

DI-TERT-BUTYL(METHYL)PHOSPHONIUM TETRAFLUOROBORATE

C9H21BF4P (247.1409974)


   

Piperidine-4-boronic acid pinacol ester HCl

Piperidine-4-boronic acid pinacol ester HCl

C11H23BClNO2 (247.1510278)


   

6-Acetylpyridine-3-boronic acid pinacol ester

6-Acetylpyridine-3-boronic acid pinacol ester

C13H18BNO3 (247.13796680000002)


   

di-tert-butylmethylphosphine tetrafluor&

di-tert-butylmethylphosphine tetrafluor&

C9H21BF4P (247.1409974)


   

N,N-dimethyl-4-naphthalen-1-ylaniline

N,N-Dimethyl-4-(naphthalen-1-yl)aniline

C18H17N (247.1360922)


   

NU 2058

6-(cyclohexylmethoxy)-9H-purin-2-amine

C12H17N5O (247.1433032)


NU2058 (O6-(Cyclohexylmethyl)guanine) is a potent, competitive and guanine-based CDK inhibitor with IC50s of 17 μM and 26 μM for CDK2 and CDK1. NU2058 has anti-cancer activity.

   

BENZYLNAPHTHALEN-1-YLMETHYLAMINE

BENZYLNAPHTHALEN-1-YLMETHYLAMINE

C18H17N (247.1360922)


   

boc-l-6-hydroxynorleucine

boc-l-6-hydroxynorleucine

C11H21NO5 (247.1419656)


   

N-tert-butyl-L-serineisopropyl ester

N-tert-butyl-L-serineisopropyl ester

C11H21NO5 (247.1419656)


   

4-aminocarbonylphenylboronic acid, pinacol ester

4-aminocarbonylphenylboronic acid, pinacol ester

C13H18BNO3 (247.13796680000002)


   

3-Aminocarbonylphenylboronic acid, pinacol ester

3-Aminocarbonylphenylboronic acid, pinacol ester

C13H18BNO3 (247.13796680000002)


   

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanenitrile

C12H18BN3O2 (247.14919980000002)


   

n-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

n-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide

C13H18BNO3 (247.13796680000002)


   

5-((tert-Butyldimethylsilyl)oxy)-1H-indole

5-((tert-Butyldimethylsilyl)oxy)-1H-indole

C14H21NOSi (247.1392336)


   

3-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID

3-(4-METHYLPIPERIDINE-1-CARBONYL)PHENYLBORONIC ACID

C13H18BNO3 (247.13796680000002)


   

2-[[2-(3,5-Dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanol

2-[[2-(3,5-Dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]amino]ethanol

C12H17N5O (247.1433032)


   

[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]-trimethylazanium

[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]-trimethylazanium

C14H19N2O2+ (247.1446454)


   

(3S)-3-[(3R)-3-hydroxybutanoyl]oxy-4-(trimethylazaniumyl)butanoate

(3S)-3-[(3R)-3-hydroxybutanoyl]oxy-4-(trimethylazaniumyl)butanoate

C11H21NO5 (247.1419656)


   

N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide

N-[2-(1-cyclohexenyl)ethyl]-4-fluorobenzamide

C15H18FNO (247.137235)


   

alpha-Carboxy-N,N,N-trimethyl-1H-indole-3-ethan-1-aminium

alpha-Carboxy-N,N,N-trimethyl-1H-indole-3-ethan-1-aminium

C14H19N2O2+ (247.1446454)


   

Z-1-Indan-1-ylethanone trimethylsilyloxime

Z-1-Indan-1-ylethanone trimethylsilyloxime

C14H21NOSi (247.1392336)


   

E-1-Indan-1-ylethanone trimethylsilyloxime

E-1-Indan-1-ylethanone trimethylsilyloxime

C14H21NOSi (247.1392336)


   

(R)-3-hydroxybutyrylcarnitine

(R)-3-hydroxybutyrylcarnitine

C11H21NO5 (247.1419656)


An O-hydroxybutyryl-L-carnitine in which the acyl group is specified as 3-hydroxybutyryl.

   
   

L-Lysine, L-threonyl-

L-Lysine, L-threonyl-

C10H21N3O4 (247.1531986)


   

3-hydroxybutyrylcarnitine

3-hydroxybutyrylcarnitine

C11H21NO5 (247.1419656)


An O-acylcarnitine having 3-hydroxybutyryl as the acyl substituent.

   
   

O-hydroxybutyryl-L-carnitine

O-hydroxybutyryl-L-carnitine

C11H21NO5 (247.1419656)


An O-acyl-L-carnitine that is L-carnitine having a hydroxybutyryl group as the acyl substituent in which the positions of the hydroxy group is unspecified.