Exact Mass: 188.0757
Exact Mass Matches: 188.0757
Found 500 metabolites which its exact mass value is equals to given mass value 188.0757,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-Butylidene-1(3H)-isobenzofuranone
(Z)-3-butylidenephthalide is a gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity. It has a role as a metabolite, a hypoglycemic agent and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a member of 2-benzofurans and a gamma-lactone. It is functionally related to a 2-benzofuran-1(3H)-one. Butylidenephthalide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. (Z)-3-Butylidene-1(3H)-isobenzofuranone is found in herbs and spices. (Z)-3-Butylidene-1(3H)-isobenzofuranone is a constituent of Angelica glauca Flavouring ingredient. 3-Butylidene-1(3H)-isobenzofuranone is found in wild celery and lovage. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
(3S)-3-Hydroxy-L-enduracididine
A non-proteinogenic L-alpha-amino acid that is L-serine substituted at position 3 by a 2-iminoimidazolidin-4-yl group.
Tabtoxinine-delta-lactam
A delta-lactam that is L-pipecolic acid carrying additional hydroxy and aminomethyl substituents at position 5 as well as an oxo substituent at position 6.
N-Acetylglutamine
N-Acetyl-L-glutamine (NAcGln) or N-Acetylglutamine, belongs to the class of organic compounds known as N-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. N-Acetylglutamine can also be classified as an alpha amino acid or a derivatized alpha amino acid. Technically, N-Acetylglutamine is a biologically available N-terminal capped form of the proteinogenic alpha amino acid L-glutamine. N-acetyl amino acids can be produced either via direct synthesis of specific N-acetyltransferases or via the proteolytic degradation of N-acetylated proteins by specific hydrolases. N-terminal acetylation of proteins is a widespread and highly conserved process in eukaryotes that is involved in protection and stability of proteins (PMID: 16465618). About 85\\\% of all human proteins and 68\\\% of all yeast proteins are acetylated at their N-terminus (PMID: 21750686). Several proteins from prokaryotes and archaea are also modified by N-terminal acetylation. The majority of eukaryotic N-terminal-acetylation reactions occur through N-acetyltransferase enzymes or NAT‚Äôs (PMID: 30054468). These enzymes consist of three main oligomeric complexes NatA, NatB, and NatC, which are composed of at least a unique catalytic subunit and one unique ribosomal anchor. The substrate specificities of different NAT enzymes are mainly determined by the identities of the first two N-terminal residues of the target protein. The human NatA complex co-translationally acetylates N-termini that bear a small amino acid (A, S, T, C, and occasionally V and G) (PMID: 30054468). NatA also exists in a monomeric state and can post-translationally acetylate acidic N-termini residues (D-, E-). NatB and NatC acetylate N-terminal methionine with further specificity determined by the identity of the second amino acid. N-acetylated amino acids, such as N-acetylglutamine can be released by an N-acylpeptide hydrolase from peptides generated by proteolytic degradation (PMID: 16465618). In addition to the NAT enzymes and protein-based acetylation, N-acetylation of free glutamine can also occur. In particular, N-Acetylglutamine can be biosynthesized from L-glutamine and acetyl-CoA by the enzyme glutamine N-acyltransferase (EC 2.3.1.68). Excessive amounts N-acetyl amino acids including N-acetylglutamine (as well as N-acetylglycine, N-acetylserine, N-acetylmethionine, N-acetylglutamate, N-acetylalanine, N-acetylleucine and smaller amounts of N-acetylthreonine, N-acetylisoleucine, and N-acetylvaline) can be detected in the urine with individuals with acylase I deficiency, a genetic disorder (PMID: 16465618). Aminoacylase I is a soluble homodimeric zinc binding enzyme that catalyzes the formation of free aliphatic amino acids from N-acetylated precursors. In humans, Aminoacylase I is encoded by the aminoacylase 1 gene (ACY1) on chromosome 3p21 that consists of 15 exons (OMIM 609924). Individuals with aminoacylase I deficiency will experience convulsions, hearing loss and difficulty feeding (PMID: 16465618). ACY1 can also catalyze the reverse reaction, the synthesis of acetylated amino acids. Many N-acetylamino acids, including N-acetylglutamine are classified as uremic toxins if present in high abundance in the serum or plasma (PMID: 26317986; PMID: 20613759). Uremic toxins are a diverse group of endogenously produced molecules that, if not properly cleared or eliminated by the kidneys, can cause kidney damage, cardiovascular disease and neurological deficits (PMID: 18287557). N-acetylglutamine can be used for parenteral nutrition as a source of glutamine since glutamine is too unstable whereas N-acetylglutamine is very stable. In patients treated with aminoglycosides and/or glycopeptides, an elevation of N-acetylglutamine in urine suggests renal tubular injury. N-Acetylglutamine (GIcNAc) is a modified amino acid (an acetylated analogue of glutamine), a metabolite present in normal human urine. The decomposition products of GIcNAc have been identified by NMR and HPLC-MS as N-acetyl-L-glutamic acid, N-(2,6-dioxo-3-piperidinyl) acetamide, pyroglutamic acid, glutamic acid, and glutamine. GIcNAc is used for parenteral nutrition as a source of glutamine, since glutamine is too unstable, but GIcNAc is very stable. In patients treated with aminoglycosides and/or glycopeptides, elevation GIcNAc in urine suggests renal tubular injury. High amounts of N-acetylated amino acids (i.e.: N-Acetylglutamine) were detected patient with aminoacylase I deficiency (EC 3.5.1.14, a homodimeric zinc-binding metalloenzyme located in the cytosol), a novel inborn error of metabolism. (PMID: 15331932, 11312773, 7952062, 2569664, 16274666) [HMDB] C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Aceglutamide (α-N-Acetyl-L-glutamine) is a psychostimulant and nootropic, used to improve memory and concentration[1].
Tetrahydro-2,5-furan-diacetic acid
Tetrahydro-2,5-furan-diacetic acid belongs to the family of Dicarboxylic Acids and Derivatives. These are organic compounds containing exactly two carboxylic acid groups
Trigoforin
Constituent of Trigonella foenum-graecum (fenugreek). Trigoforin is found in herbs and spices and fenugreek. Trigoforin is found in fenugreek. Trigoforin is a constituent of Trigonella foenum-graecum (fenugreek)
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one is found in brassicas. (-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one is an alkaloid from brassicas inoculated with Pseudomonas cichorii. Alkaloid from brassicas inoculated with Pseudomonas cichorii. (-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one is found in brassicas.
(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
3-(2-methylpropylidene)-1(3h)-isobenzofuranone is a member of the class of compounds known as isobenzofuranones. Isobenzofuranones are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position. 3-(2-methylpropylidene)-1(3h)-isobenzofuranone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3-(2-methylpropylidene)-1(3h)-isobenzofuranone can be found in wild celery, which makes 3-(2-methylpropylidene)-1(3h)-isobenzofuranone a potential biomarker for the consumption of this food product. (E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone is found in green vegetables. (E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone is a odorous constituent of celer
(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne
(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne is found in herbs and spices. (Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne is isolated from roots of Chrysanthemum coronarium (chop-suey greens
Glycylhydroxyproline
Glycylhydroxyproline is likely a proteolytic breakdown product of collagen. It belongs to the family of peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by the formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. It is found in urine (PMID: 3782411). A dipeptide found in urine (PMID: 3782411). This is a proteolytic breakdown product of collagen. [HMDB]
N-(2,5-Dihydroxyphenyl)pyridinium(1+)
N-(2,5-Dihydroxyphenyl)pyridinium(1+) is found in fruits. N-(2,5-Dihydroxyphenyl)pyridinium(1+) is isolated from the leaves of Punica granatum (pomegranate). Isolated from the leaves of Punica granatum (pomegranate). N-(2,5-Dihydroxyphenyl)pyridinium(1+) is found in fruits.
Allyl cinnamate
Allyl cinnamate is a flavouring agent. Flavouring agent
(E)-Butylidene phthalide
(e)-butylidene phthalide, also known as 3-butylidene-1(3h)-isobenzofuranone, is a member of the class of compounds known as isobenzofuranones. Isobenzofuranones are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position (e)-butylidene phthalide is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (e)-butylidene phthalide can be found in wild celery, which makes (e)-butylidene phthalide a potential biomarker for the consumption of this food product. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
2-(prop-1-en-2-yl)-2,3-dihydrobenzofuran-5-carbaldehyde
3-Butylidene-1(3H)-isobenzofuranone
(Z)-3-Butylidene-1(3H)-isobenzofuranone is found in herbs and spices. (Z)-3-Butylidene-1(3H)-isobenzofuranone is a constituent of Angelica glauca Flavouring ingredient. 3-Butylidene-1(3H)-isobenzofuranone is found in wild celery and lovage. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
2-Methyl-7,8-dihydro-6H-indeno<4,5-b>thiophen|2-Methyl-7,8-dihydro-6H-indeno[4,5-b]thiophen
1,8-Decadiene-3,6-diyn-5-ol-(Z)-form-Ac|5-acetoxy-deca-1,8Z-diene-3,6-diyne
(-)-(R)-2-(4-hydroxy-2-oxoindolin-3-yl)acetonitrile
1-Alcohol-4-Hydroxy-3-(3-methyl-3-buten-1-ynyl)benzoic acid enzoic acid|4-hydroxy-3-(3-methylbut-3-en-1-ynyl)benzyl alcohol|eutypinol
methyl 3,4,5-trihydroxycyclohexene-1-carboxylate
Aceglutamide
C78272 - Agent Affecting Nervous System > C47795 - CNS Stimulant Aceglutamide (α-N-Acetyl-L-glutamine) is a psychostimulant and nootropic, used to improve memory and concentration[1].
(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one
(L)-2-DIAZOACETYL-PYRROLIDINE-1-CARBOXYLICACIDTERT-BUTYLESTER
1-(2-AMINO-PHENYL)-PIPERIDINE-4-CARBOXYLICACIDETHYLESTER
2-Propeneperoxoic acid,3-carboxy-, 1-(1,1-dimethylethyl) ester, (2Z)-
3-(2-OXO-2,3-DIHYDRO-1,3-BENZOXAZOL-3-YL)PROPANENITRILE
2-(AMINOMETHYL)-N,N-DIMETHYLPYRIMIDIN-5-AMINE HYDROCHLORIDE
7-METHYL-1,5-DIOXO-1,2,3,5-TETRAHYDROINDOLIZINE-6-CARBONITRILE
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxylic acid
3-hydroxy-2-oxo-3,4-dihydro-1H-quinoline-7-carbonitrile
2,2,2-TRIFLUORO-1-PYRIDIN-3-YLETHYLAMINE HYDROCHLORIDE
3-(Aminomethyl)-4,6-dimethylpyridin-2(1H)-one dihydrochloride
2(3H)-Furanone,dihydro-3-methylene-5-(phenylmethyl)-
METHYL 2,5-DIHYDRO-2,5-DIMETHOXY-2-FURANCARBOXYLATE
3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,4-dihydropyrazin-2-one
2,4-Dihydro-5-methyl-2-(4-methylphenyl)-3H-pyrazol-3-one
1H-Benzimidazole-2-carboxaldehyde,1-(1-methylethyl)-(9CI)
(R)-1-(3,5-DIFLUOROPYRIDIN-2-YL)-2-METHOXYETHANAMINE
(E)-4-(2-(CHLOROPHENYL)ETHENYL-2,6-BIS(1,1-DIMETHYLETHYL)PYRRILIUMSALT
1H-Benzimidazole-2-carboxaldehyde,1,5,6-trimethyl-(9CI)
1H-Benzimidazole-4,7-dione,2-ethenyl-1-methyl-(9CI)
4-amidino-N-nitroso-1-tetrazene-1-carboximidohydrazide
Pyrimido[2,1-a]isoindol-6(2H)-one,1,3,4,10b-tetrahydro-
(2E)-N-(5-CHLORO-2-METHOXYPHENYL)-2-(HYDROXYIMINO)ACETAMIDE
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-ethenyl-
1-Phenyl-1H-pyrazole-4-carboxylic acid
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Poly(oxy-1,2-ethanediyl), .alpha.-2-naphthalenyl-.omega.-hydroxy-
6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,2-dihydropyridazin-3-one
2-(aminomethyl)-3,5-dimethyl-4(1H)-pyridinone(SALTDATA: 2HCl 1H2O)
2-Propenamide, 2-cyano-3-(4-hydroxyphenyl)-, (2E)-
Butanoic acid, 3-methyl-2-oxo-, trimethylsilyl ester
(Z)-Butylidenephthalide
(z)-3-butylidene-1(3h)-isobenzofuranone, also known as (Z)-3-butylidenephthalide, is a member of the class of compounds known as isobenzofuranones. Isobenzofuranones are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position (z)-3-butylidene-1(3h)-isobenzofuranone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (z)-3-butylidene-1(3h)-isobenzofuranone can be found in herbs and spices and lovage, which makes (z)-3-butylidene-1(3h)-isobenzofuranone a potential biomarker for the consumption of these food products. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
3-(1H-indol-3-yl)Propanoate
A monocarboxylic acid anion that is the conjugate base of 3-(1H-indol-3-yl)propanoic acid.
(2S,5S)-5-(aminomethyl)-5-hydroxy-6-oxopiperidine-2-carboxylate
(2S)-2-azaniumyl-4-[(3S)-3-hydroxy-2-oxoazetidin-3-yl]butanoate
1-(2-Aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl glycolate
10-Amino-7-aza-2-azoniatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol
Ligusticum lactone
(Z)-3-butylidenephthalide is a gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity. It has a role as a metabolite, a hypoglycemic agent and an EC 3.2.1.20 (alpha-glucosidase) inhibitor. It is a member of 2-benzofurans and a gamma-lactone. It is functionally related to a 2-benzofuran-1(3H)-one. Butylidenephthalide is a natural product found in Ligusticum striatum, Angelica sinensis, and other organisms with data available. A gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1]. 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae)[1].
(E)-3-(2-Methylpropylidene)-1(3H)-isobenzofuranone
2,6-diaminopimelate(2-)
A dicarboxylic acid dianion that is the conjugate base of 2,6-diaminopimelic acid.
2-oxosuberic acid
An oxo dicarboxylic acid that is suberic acid substituted by an oxo group at position 2.
N(2)-acetylglutamine
A glutamine derivative with an acetyl group bound at the alpha-amino group.
2-hydroxy-3-methoxy-5-methyl-5,6-dihydro-2h-pyran-4-carboxylic acid
2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-10,11-dione
4-(hydroxymethyl)-2-(3-methylbut-3-en-1-yn-1-yl)phenol
(2r,5s)-2-hydroxy-3-methoxy-5-methyl-5,6-dihydro-2h-pyran-4-carboxylic acid
4-(c-hydroxycarbonimidoyl)-2-[(1-hydroxyethylidene)amino]butanoic acid
2,3-Dihydro-4-hydroxy-2-indole-3-acetonitrile
{"Ingredient_id": "HBIN003993","Ingredient_name": "2,3-Dihydro-4-hydroxy-2-indole-3-acetonitrile","Alias": "2,3-Dihydro-4-hydroxy-2-oxo-1H-indole-3-acetonitrile; 2-(4-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile; 4CN-2512; AC1NSUKH; 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile; 2,3-dihydro-4-hydroxy-2-oxoindole-3-acetonitrile; 1380540-77-1; AKOS032948858; 2,3-dihydro-4-hydroxy-2-indole-3-acetonitrile","Ingredient_formula": "C10H8N2O2","Ingredient_Smile": "C1=CC2=C(C(C(=O)N2)CC#N)C(=C1)O","Ingredient_weight": "188.18 g/mol","OB_score": "84.69543443","CAS_id": "NA","SymMap_id": "SMIT00910","TCMID_id": "5636","TCMSP_id": "MOL005588","TCM_ID_id": "NA","PubChem_id": "5316720","DrugBank_id": "NA"}
2,3-dihydro-4-hydroxy-2-oxo-1h-indole-3-acetic acid; nitrile
{"Ingredient_id": "HBIN003994","Ingredient_name": "2,3-dihydro-4-hydroxy-2-oxo-1h-indole-3-acetic acid; nitrile","Alias": "NA","Ingredient_formula": "C10H8N2O2","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8950","PubChem_id": "NA","DrugBank_id": "NA"}
2,3-dihydro-4-hydroxy-2-oxo-indole-3-acetonitrile
{"Ingredient_id": "HBIN003995","Ingredient_name": "2,3-dihydro-4-hydroxy-2-oxo-indole-3-acetonitrile","Alias": "2,3-Dihydro-4-hydroxy-2-oxo-1H-indole-3-acetonitrile; 2-(4-hydroxy-2-oxo-1,3-dihydroindol-3-yl)acetonitrile; 4CN-2512; AC1NSUKH; 2-(4-Hydroxy-2-oxoindolin-3-yl)acetonitrile; 2,3-dihydro-4-hydroxy-2-oxoindole-3-acetonitrile; 1380540-77-1; AKOS032948858","Ingredient_formula": "C10H8N2O2","Ingredient_Smile": "C1=CC2=C(C(C(=O)N2)CC#N)C(=C1)O","Ingredient_weight": "188.18 g/mol","OB_score": "84.69543443","CAS_id": "NA","SymMap_id": "SMIT01134","TCMID_id": "NA","TCMSP_id": "MOL001791","TCM_ID_id": "NA","PubChem_id": "5316720","DrugBank_id": "NA"}
2-methylene-3-buten-1-yl benzoate
{"Ingredient_id": "HBIN006047","Ingredient_name": "2-methylene-3-buten-1-yl benzoate","Alias": "NA","Ingredient_formula": "C12H12O2","Ingredient_Smile": "NA","Ingredient_weight": "188.22","OB_score": "NA","CAS_id": "150967-24-1","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8560","PubChem_id": "NA","DrugBank_id": "NA"}
3-butylidene-phalide
{"Ingredient_id": "HBIN008361","Ingredient_name": "3-butylidene-phalide","Alias": "NA","Ingredient_formula": "C12H12O2","Ingredient_Smile": "CCCC=C1C2=CC=CC=C2C(=O)O1","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14535","TCMID_id": "2797","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
6,7-methylenedioxy-n-methylisoquinoline
{"Ingredient_id": "HBIN012097","Ingredient_name": "6,7-methylenedioxy-n-methylisoquinoline","Alias": "NA","Ingredient_formula": "C11H10NO2+","Ingredient_Smile": "C[N+]1=CC2=CC3=C(C=C2C=C1)OCO3","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14371","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
