Exact Mass: 176.075
Exact Mass Matches: 176.075
Found 500 metabolites which its exact mass value is equals to given mass value 176.075,
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.
Canavanine
L-Canavanine, a non-protein amino acid of certain leguminous plants, is related structurally to the protein amino acid, L-arginine. Canavanine is accumulated primarily in the seeds where it serves both as a defensive compound against herbivores and a vital source of nitrogen for the growing embryo. Organisms that consume it can mistakenly incorporate it into their own proteins, in the place of arginine thereby producing structurally aberrant proteins that may not function properly or not at all. Some specialized herbivores tolerate L-canavanine either because they metabolize it efficiently or avoid its incorporation into their own nascent proteins. Stored in large quantities in the seeds of leguminous plants in three subfamilies. Isol. originally from Jackbean (Canavalia ensiformis) KEIO_ID C094
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
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.
Serylalanine
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
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
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.
Methionyl butyrate
Methionyl butyrate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]") It is used as a food additive .
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
Methylthiomethyl hexanoate
Methylthiomethyl hexanoate is a flavouring agent for baked goods, seasonings etc. Flavouring agent for baked goods, seasonings etc
(S)-3-Mercaptohexyl acetate
(S)-3-Mercaptohexyl acetate is found in fruits. (S)-3-Mercaptohexyl acetate is a constituent of volatile oil of yellow passion fruit (Passiflora edulis f. flavicarpa). It is used as a food additive
(2S)-2-Amino-3-[(2S)-2-aminopropanoyl]oxypropanoic acid
N5-formyl-N5-hydroxy-L-ornithine
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].
(E)-4,4-(1,2-DIETHYL-1,2-ETHENEDIYL)BISPHENOLBIS(DIHYDROGENPHOSPHATE)TETRASODIUMSALT
(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
Diimidazo[1,2-a:2,1-c]pyrazin-5-ol, 5,6-dihydro- (9CI)
1,4-Methanonaphthalene-2,3-diol, 1,2,3,4-tetrahydro-
7-Hydroxy-6-Methyl-2,3-dihydro-1h-indene-4-carbaldehyde
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
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
6-METHOXY-1A,2,3,7B-TETRAHYDRO-1-OXA-CYCLOPROPA[A]NAPHTHALENE
7a-(Difluoromethyl)tetrahydro-1H-pyrrolo[1,2-a]imidazol-5(6H)-one
[(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
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
(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
alpha-Hydroxyisobutyric acid, trimethylsilyl ester
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].
L-Canavanine
A non-proteinogenic L-alpha-amino acid that is L-homoserine substituted at oxygen with a guanidino (carbamimidamido) group. Although structurally related to L-arginine, it is non-proteinogenic.
Ethylenediamine-N,N-diacetic acid
D064449 - Sequestering Agents > D002614 - Chelating Agents
3-Mercaptohexyl acetate
An acetate ester obtained by formal O-acetylation of 3-mercaptohexanol.
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.
butyl 3-(methylsulfanyl)propanoate
A carboxylic ester obtained by the formal condensation of the carboxy group of 3-(methylthio)propionic acid with butan-1-ol.
(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
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"}
