Exact Mass: 176.0659672
Exact Mass Matches: 176.0659672
Found 405 metabolites which its exact mass value is equals to given mass value 176.0659672,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
2-Isopropylmalic acid
2-Isopropylmalic acid (CAS: 3237-44-3), also known as 3-carboxy-3-hydroxyisocaproic acid, belongs to the class of organic compounds known as hydroxy fatty acids. These are fatty acids in which the chain bears a hydroxyl group. 2-Isopropylmalic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 2-Isopropylmalic acid is an alpha-hydroxy organic acid regularly occurring in the urine of healthy individuals (PMID: 2338430, 544608), and in hemofiltrates (PMID: 7251751). 2-Isopropylmalic acid is elevated during fasting and diabetic ketoacidosis (PMID: 1591279). It is also a metabolite found in Acetobacter (PMID: 6035258). α-Isopropylmalate (α-IPM) is the leucine biosynthetic precursor in Yeast[1]. α-Isopropylmalate. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=3237-44-3 (retrieved 2024-08-26) (CAS RN: 3237-44-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
3-Isopropylmalic acid
3-Isopropylmalic acid (CAS: 16048-89-8) is an intermediate in valine, leucine, and isoleucine biosynthesis. It is a substrate for 3-isopropylmalate dehydrogenase (TT_C0867) and can be generated from the reduction of 2-isopropyl-3-oxosuccinate. Leucine biosynthesis involves a five-step conversion process starting with the valine precursor 2-keto-isovalerate. The final step in this pathway is catalyzed by two transaminases of broad specificity: branched-chain amino acid transferase (IlvE) and tyrosine aminotransferase (TyrB). This pathway is part of the super pathway of leucine, valine, and isoleucine biosynthesis that generates not only isoleucine and valine but also leucine.
Pemoline
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
4-Hydroxyaminoquinoline N-oxide
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
Validone
A member of the class of hydroxycyclohexanones that is cyclohexanone substituted by hydroxy groups at positions 2, 3 and 4, and by a hydroxymethyl group at position 5 (the 2R,3S,4R,5R-diastereomer).
2,3-Dimethyl-3-hydroxyglutaric acid
2,3-dimethyl-3-hydroxyglutaric acid has been found excreted in the urine by a patient with beta-ketothiolase deficiency. (PMID 6133567) [HMDB] 2,3-dimethyl-3-hydroxyglutaric acid has been found excreted in the urine by a patient with beta-ketothiolase deficiency. (PMID 6133567).
(±)-Glycerol 1,2-diacetate
(±)-Glycerol 1,2-diacetate is a solvent; used for decaffeinating coffe Solv.; used for decaffeinating coffee.
3,6-Anhydro-2-O-methyl-L-galactose|O2-Methyl-3,6-anhydro-L-galactose
2-Isopropylmalic acid
A dicarboxylic acid that is malic acid (2-hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by an isopropyl group. α-Isopropylmalate (α-IPM) is the leucine biosynthetic precursor in Yeast[1].
pemoline
N - Nervous system > N06 - Psychoanaleptics > N06B - Psychostimulants, agents used for adhd and nootropics > N06BA - Centrally acting sympathomimetics D002491 - Central Nervous System Agents > D000697 - Central Nervous System Stimulants C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
METHYL 4-CHLORO-2,2-DIMETHYL-4-PENTENOATE
C8H13ClO2 (176.06040280000002)
Diacetin
A diglyceride resulting from the formal condensation of any two of the hydroxy groups of glycerol with the carboxy groups of two molecules of acetic acid (either R1 = H and R2 = Ac, or R1 = Ac and R2 = H).
1H-Pyrrolo[3,2-c]pyridine-2-carboxylic acid, Methyl ester
4-(5-methyl-1,2,4-oxadiazol-3-ylidene)cyclohexa-2,5-dien-1-one
5-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
(2-Methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)boronic acid
Thieno[3,4-b]pyrazine, octahydro-, 6,6-dioxide (9CI)
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbaldehyde
(3-TRIMETHYLSILYL-2-PROPYNYL)TRIPHENYLPHOSPHONIUMBROMIDE
5-methoxy-1H-pyrrolo[3,2-b]pyridine-2-carbaldehyde
(S)-4,5,6,7-TETRAHYDRO-3-PHENYLMETHYL-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLICACID
C8H13ClO2 (176.06040280000002)
4H-Pyrido[1,2-a]pyrimidin-4-one,2-hydroxy-9-methyl-
6-CHLORO-TRANS-2-HEXENOICACIDETHYLESTER
C8H13ClO2 (176.06040280000002)
Diimidazo[1,2-a:2,1-c]pyrazin-5-ol, 5,6-dihydro- (9CI)
chloroethene,ethene,ethenyl acetate
C8H13ClO2 (176.06040280000002)
4-Methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
(3-TRIFLUOROMETHYLPHENYL)-CARBAMICACIDTERT-BUTYLESTER
5-methoxy-1H-pyrrolo[2,3-c]pyridine-3-carbaldehyde
PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID HYDRAZIDE
Acetic acid, 2-chloro-, cyclohexyl ester
C8H13ClO2 (176.06040280000002)
4-(Trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
1-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl-3-boronic acid
1H-Pyrrolo[2,3-b]pyridine-5-carboxylic acid, 6-methyl-
4-methoxy-1H-pyrrolo[2,3-b]pyridine-2-carbaldehyde
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-methoxy-
5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
1,4-Dioxaspiro[4.4]nonane,2-(chloromethyl)-
C8H13ClO2 (176.06040280000002)
Cyclohexanecarbonyl chloride, 3-methoxy- (9CI)
C8H13ClO2 (176.06040280000002)
6-Methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
4-methoxy-1H-pyrrolo[3,2-c]pyridine-3-carbaldehyde
1H-Benzimidazole-1-carboxylicacid,methylester(9CI)
[(5-Isopropylisoxazol-3-yl)methyl]amine hydrochloride
1-METHYL-1H-PYRROLO[2,3-B]PYRIDINE-5-CARBOXYLIC ACID
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-Methyl-
1-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
8-Carboxylic-3-H-1,4-benzodiazepin-2,5-(1H,4H)-dione
1-Azabicyclo[2.2.2]octan-3-one,oxime, hydrochloride (1:1)
Pyrazolo[1,5-a]pyridine-2-carboxylic acid hydrazide
7-Methyl-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
IMidazo[1,2-a]pyridine-3-carboxylicacid,Methylester
1-methyl-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
5H-Cyclopenta[d][1,2,4] triazolo[1,5-a]pyrimidin-8-ol,6,7-dihydro-
2-CHLORO-1-(4-METHYLPIPERAZIN-1-YL)ETHANONE HYDROCHLORIDE
1H-Benzimidazole-4-carboxylic acid,7-methyl- (9CI)
(E)-5-(TERT-BUTYL-DIMETHYL-SILANYLOXY)-PENT-2-EN-1-OL
(2S,4E)-5-Chloro-2-isopropyl-4-pentenoic acid
C8H13ClO2 (176.06040280000002)
(E)-5-CHLORO-2-ISOPROPYL-PENT-4-ENOICACID
C8H13ClO2 (176.06040280000002)
6-methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
5-Methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
Streptol
D007004 - Hypoglycemic Agents > D065089 - Glycoside Hydrolase Inhibitors D004791 - Enzyme Inhibitors
(2S)-2-Isopropylmalate
2-isopropylmalic acid, also known as (2s)-2-hydroxy-2-isopropylsuccinic acid or (2s)-2-isopropylmalate, is a member of the class of compounds known as hydroxy fatty acids. Hydroxy fatty acids are fatty acids in which the chain bears a hydroxyl group. Thus, 2-isopropylmalic acid is considered to be a fatty acid lipid molecule. 2-isopropylmalic acid is soluble (in water) and a weakly acidic compound (based on its pKa). 2-isopropylmalic acid can be found in a number of food items such as sourdough, garden onion, oat, and bitter gourd, which makes 2-isopropylmalic acid a potential biomarker for the consumption of these food products. 2-isopropylmalic acid can be found primarily in feces, saliva, and urine. 2-isopropylmalic acid exists in all living species, ranging from bacteria to humans. Isopropylmalic acid (isopropylmalate) is an intermediate in the biosynthesis of leucine, synthesized from oxoisovalerate by 2-isopropylmalate synthase and converted into isopropyl-3-oxosuccinate by 3-isopropylmalate dehydrogenase. Two isomers are important, the 2- and 3-isopropyl derivatives, and these are interconverted by isopropylmalate dehydratase . α-Isopropylmalate (α-IPM) is the leucine biosynthetic precursor in Yeast[1].
4-Hydroxyaminoquinoline-1-oxide
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
3-(chloroethyl)-5,5-dimethyldihydro-2(3H)-furanone
C8H13ClO2 (176.06040280000002)
Pemolina [Italian]
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
(2S)-2-Isopropylmalic acid
An optically active form of 2-isopropylmalic acid having S-configuration.