Exact Mass: 176.07115000000002
Exact Mass Matches: 176.07115000000002
Found 500 metabolites which its exact mass value is equals to given mass value 176.07115000000002,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ethyl cinnamate
Occurs in storaxand is also present in many fruits, e.g. cherry, American cranberry, pineapple, blackberry and passion fruit. Ethyl cinnamate is found in many foods, some of which are corn, tarragon, tamarind, and ceylon cinnamon. Ethyl cinnamate is an alkyl cinnamate and an ethyl ester. Ethyl cinnamate is a natural product found in Hedychium spicatum, Cinnamomum verum, and other organisms with data available. Ethyl cinnamate is found in ceylan cinnamon. Ethyl cinnamate occurs in storax. Also present in many fruits, e.g. cherry, American cranberry, pineapple, blackberry and passion fruit. Ethyl cinnamate is a fragrance ingredient used in many fragrance compounds. Ethyl cinnamate is a food flavor and additive for cosmetic products. Ethyl cinnamate is also an excellent clearing reagent for mammalian tissues[1][2]. Ethyl cinnamate is a fragrance ingredient used in many fragrance compounds. Ethyl cinnamate is a food flavor and additive for cosmetic products. Ethyl cinnamate is also an excellent clearing reagent for mammalian tissues[1][2].
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.
Cinnamyl acetate
Constituent of Cassia and basil oilsand is also present in guava fruit and peel, starfruit, melon and strawberry jam. Flavouring ingredient. Cinnamyl acetate is found in many foods, some of which are chinese cinnamon, fruits, sweet bay, and ceylon cinnamon. Cinnamyl acetate is found in ceylan cinnamon. Cinnamyl acetate is a constituent of Cassia and basil oils. Also present in guava fruit and peel, starfruit, melon and strawberry jam. Cinnamyl acetate is a flavouring ingredient Cinnamyl acetate has a wide application in the flavor and fragrance industry[1]. Cinnamyl acetate is a new broad spectrum antibacterial agent[2]. Cinnamyl acetate has a wide application in the flavor and fragrance industry[1]. Cinnamyl acetate is a new broad spectrum antibacterial agent[2].
7-methyl-1,2-dihydronaphthalene-1,2-diol
A member of the class of naphthalenediols that is 1,2-dihydronaphthalene substituted by hydroxy, hydroxy and methyl groups at position 1, 2 and 7, respectively.
Alanylserine
C6H12N2O4 (176.07970319999998)
Alanylserine is a dipeptide composed of alanine and serine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
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).
EDDA
C6H12N2O4 (176.07970319999998)
D064449 - Sequestering Agents > D002614 - Chelating Agents
Serylalanine
C6H12N2O4 (176.07970319999998)
Serylalanine is a dipeptide composed of serine and alanine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis.
Threonylglycine
C6H12N2O4 (176.07970319999998)
Threonylglycine is a dipeptide composed of threonine and glycine. 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.
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).
Glycyl-Threonine
C6H12N2O4 (176.07970319999998)
Glycyl-Threonine is a dipeptide composed of glycine and threonine. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
(±)-Glycerol 1,2-diacetate
(±)-Glycerol 1,2-diacetate is a solvent; used for decaffeinating coffe Solv.; used for decaffeinating coffee.
2-Propenyl phenylacetate
2-Propenyl phenylacetate is a flavouring ingredient. Flavouring ingredient
2-(Phenylethenyl)-1,3-dioxolane
Protected form of cinnamaldehyde which liberates cinnamaldehyde flavour on oral contact. 2-(Phenylethenyl)-1,3-dioxolane is used in products such as chewing gum. Protected form of cinnamaldehyde which liberates cinnamaldehyde flavour on oral contact. It is used in products such as chewing gum
3-(4-Methoxyphenyl)-2-methyl-2-propenal
3-(4-Methoxyphenyl)-2-methyl-2-propenal is a flavouring ingredient. Flavouring ingredient
Ethylenediamine-N,N'-diacetic acid
C6H12N2O4 (176.07970319999998)
(2S)-2-Amino-3-[(2S)-2-aminopropanoyl]oxypropanoic acid
C6H12N2O4 (176.07970319999998)
N5-formyl-N5-hydroxy-L-ornithine
C6H12N2O4 (176.07970319999998)
N5-formyl-n5-hydroxy-l-ornithine is a member of the class of compounds known as L-alpha-amino acids. L-alpha-amino acids are alpha amino acids which have the L-configuration of the alpha-carbon atom. N5-formyl-n5-hydroxy-l-ornithine is soluble (in water) and a moderately acidic compound (based on its pKa). N5-formyl-n5-hydroxy-l-ornithine can be found in a number of food items such as chinese chives, european chestnut, okra, and mung bean, which makes n5-formyl-n5-hydroxy-l-ornithine a potential biomarker for the consumption of these food products.
5-(E)-but-2-enylidene-3-(E)-propenyl-5H-furan-2-one
5-(E)-buta-1,3-dienyl-3-(E)-propenyl-5H-furan-2-one
3,6-Anhydro-2-O-methyl-L-galactose|O2-Methyl-3,6-anhydro-L-galactose
4-hydroxy-3-methyl-3,4-dihydro-2H-naphthalen-1-one|4-Hydroxy-3-methyl-3,4-dihydro-2H-naphthalin-1-on|Isoshinanolon
2-(Butyn-2-ylidene)-?藛3-dihydrofuran[5-spiro-2]tetrahydrofuran
2-(1-Methylethenyl)-6-hydroxy-2,3-dihydrobenzo[b]furan|2-(1-methylethenyl)-6-hydroxybenzo[b]furan
Undeca-5,6-dien-8,10-diin-1,3-diol|undeca-5,6-diene-8,10-diyne-1,3-diol
Undeca-5,6-dien-8,10-diin-1,4-diol|undeca-5,6-diene-8,10-diyne-1,4-diol
2,3-Dihydro-matricaria-methylester|8-Decene-4,6-diynoic acid,9CI-Me ester|8Z-2,3-dihydromatricaria ester|Dec-8c-en-4,6-diinsaeure-methylester|dec-8c-ene-4,6-diynoic acid methyl ester
Cinnamyl_acetate
Cinnamyl acetate is an acetate ester resulting from the formal condensation of cinnamyl alcohol with acetic acid. Found in cinnamon leaf oil. It has a role as a fragrance, a metabolite and an insecticide. It is functionally related to a cinnamyl alcohol. Cinnamyl acetate is a natural product found in Nicotiana bonariensis, Nicotiana langsdorffii, and other organisms with data available. See also: Chinese Cinnamon Leaf Oil (part of). Cinnamyl acetate has a wide application in the flavor and fragrance industry[1]. Cinnamyl acetate is a new broad spectrum antibacterial agent[2]. Cinnamyl acetate has a wide application in the flavor and fragrance industry[1]. Cinnamyl acetate is a new broad spectrum antibacterial agent[2].
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].
Ala-ser
C6H12N2O4 (176.07970319999998)
A dipeptide composed of L-alanine and L-serine joined by a peptide linkage.
Gly-THR
C6H12N2O4 (176.07970319999998)
A dipeptide formed from glycine and L-threonine residues.
Ser-ala
C6H12N2O4 (176.07970319999998)
A dipeptide formed from L-serine and L-alanine residues.
THR-Gly
C6H12N2O4 (176.07970319999998)
A dipeptide formed from L-threonine and glycine residues.
(E)-4,4-(1,2-DIETHYL-1,2-ETHENEDIYL)BISPHENOLBIS(DIHYDROGENPHOSPHATE)TETRASODIUMSALT
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).
(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
(S)-4,5,6,7-TETRAHYDRO-3-PHENYLMETHYL-3H-IMIDAZO[4,5-C]PYRIDINE-6-CARBOXYLICACID
C8H13ClO2 (176.06040280000002)
6-CHLORO-TRANS-2-HEXENOICACIDETHYLESTER
C8H13ClO2 (176.06040280000002)
Diimidazo[1,2-a:2,1-c]pyrazin-5-ol, 5,6-dihydro- (9CI)
N,N-Dimethoxy-N,N-dimethylethanediamide
C6H12N2O4 (176.07970319999998)
(Chloromethyl)boronic acid pinacol ester
C7H14BClO2 (176.07753240000002)
1,4-Methanonaphthalene-2,3-diol, 1,2,3,4-tetrahydro-
chloroethene,ethene,ethenyl acetate
C8H13ClO2 (176.06040280000002)
7-Hydroxy-6-Methyl-2,3-dihydro-1h-indene-4-carbaldehyde
4-Methoxy-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID HYDRAZIDE
Acetic acid, 2-chloro-, cyclohexyl ester
C8H13ClO2 (176.06040280000002)
1-Methyl-1H-pyrrolo[2,3-b]pyridin-3-yl-3-boronic acid
4-METHOXY-1A,2,3,7B-TETRAHYDRO-1-OXA-CYCLOPROPA[A]NAPHTHALENE
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)
6-METHOXY-1A,2,3,7B-TETRAHYDRO-1-OXA-CYCLOPROPA[A]NAPHTHALENE
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
7a-(Difluoromethyl)tetrahydro-1H-pyrrolo[1,2-a]imidazol-5(6H)-one
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)
2,2-DIMETHYL-2,3-DIHYDRO-1-BENZOFURAN-7-CARBALDEHYDE
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)
Diethyl 1,2-hydrazinedicarboxylate
C6H12N2O4 (176.07970319999998)
(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
3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
AI3-00667
Ethyl cinnamate is a fragrance ingredient used in many fragrance compounds. Ethyl cinnamate is a food flavor and additive for cosmetic products. Ethyl cinnamate is also an excellent clearing reagent for mammalian tissues[1][2]. Ethyl cinnamate is a fragrance ingredient used in many fragrance compounds. Ethyl cinnamate is a food flavor and additive for cosmetic products. Ethyl cinnamate is also an excellent clearing reagent for mammalian tissues[1][2].
AI3-01265
Cinnamyl acetate has a wide application in the flavor and fragrance industry[1]. Cinnamyl acetate is a new broad spectrum antibacterial agent[2]. Cinnamyl acetate has a wide application in the flavor and fragrance industry[1]. Cinnamyl acetate is a new broad spectrum antibacterial agent[2].
(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].
(2S)-2-Amino-3-[(2S)-2-aminopropanoyl]oxypropanoic acid
C6H12N2O4 (176.07970319999998)
4-Hydroxyaminoquinoline-1-oxide
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
(1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol
A cis-1,2-dihydroxy-1,2-dihydro-7-methylnaphthalene that has 1R,2S-configuration.
3-(chloroethyl)-5,5-dimethyldihydro-2(3H)-furanone
C8H13ClO2 (176.06040280000002)
Pemolina [Italian]
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant
Ethyl_cinnamate
Ethyl cinnamate is an alkyl cinnamate and an ethyl ester. Ethyl cinnamate is a natural product found in Hedychium spicatum, Cinnamomum verum, and other organisms with data available. Ethyl cinnamate is a fragrance ingredient used in many fragrance compounds. Ethyl cinnamate is a food flavor and additive for cosmetic products. Ethyl cinnamate is also an excellent clearing reagent for mammalian tissues[1][2]. Ethyl cinnamate is a fragrance ingredient used in many fragrance compounds. Ethyl cinnamate is a food flavor and additive for cosmetic products. Ethyl cinnamate is also an excellent clearing reagent for mammalian tissues[1][2].
Ethylenediamine-N,N-diacetic acid
C6H12N2O4 (176.07970319999998)
D064449 - Sequestering Agents > D002614 - Chelating Agents
Cinnamyl acetate
An acetate ester resulting from the formal condensation of cinnamyl alcohol with acetic acid. Found in cinnamon leaf oil.
(2S)-2-Isopropylmalic acid
An optically active form of 2-isopropylmalic acid having S-configuration.
(1S,2R)-7-methyl-1,2-dihydronaphthalene-1,2-diol
A cis-1,2-dihydroxy-1,2-dihydro-7-methylnaphthalene that has 1S,2R-configuration.
ethylenediaminediacetic acid
C6H12N2O4 (176.07970319999998)
An ethylenediamine derivative in which two of the four amine protons of ethylenediamine are replaced by carboxymethyl groups.
(1s)-6-hydroxy-1-methyl-2,3-dihydro-1h-indene-4-carbaldehyde
5-(but-2-en-1-ylidene)-3-(prop-1-en-1-yl)furan-2-one
4-hydroxy-3-methyl-3,4-dihydro-2h-naphthalen-1-one
2-(1'-methylethenyl)-6-hydroxy-2,3-dihydro-benzo[ b]furan
{"Ingredient_id": "HBIN003582","Ingredient_name": "2-(1'-methylethenyl)-6-hydroxy-2,3-dihydro-benzo[ b]furan","Alias": "NA","Ingredient_formula": "C11H12O2","Ingredient_Smile": "CC(=C)C1CC2=C(O1)C=C(C=C2)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14422","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
2-(butyn-2-ylidene)-Δ3-dihydrofuran[5-spiro-2']-tetrahydrofuran
{"Ingredient_id": "HBIN005433","Ingredient_name": "2-(butyn-2-ylidene)-\u03943-dihydrofuran[5-spiro-2']-tetrahydrofuran","Alias": "NA","Ingredient_formula": "C11H12O2","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2807","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-(4-methoxyphenyl)-3-buten-2-one
{"Ingredient_id": "HBIN009965","Ingredient_name": "4-(4-methoxyphenyl)-3-buten-2-one","Alias": "NA","Ingredient_formula": "C11H12O2","Ingredient_Smile": "CC(=O)C=CC1=CC=C(C=C1)OC","Ingredient_weight": "176.21 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "37867","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "736889","DrugBank_id": "NA"}
(3s,4r)-4-hydroxy-3-methyl-3,4-dihydro-2h-naphthalen-1-one
(2s)-2-{[(2s)-2-amino-1-hydroxypropylidene]amino}-3-hydroxypropanoic acid
C6H12N2O4 (176.07970319999998)