Exact Mass: 218.1219
Exact Mass Matches: 218.1219
Found 289 metabolites which its exact mass value is equals to given mass value 218.1219,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
L-Lysopine
L-Lysopine is isolated from crown gall tumours of various plants including tomato, jerusalem artichoke and salsify. Isolated from crown gall tumours of various plants including tomato, jerusalem artichoke and salsify. N2-[(1R)-1-Carboxyethyl]-L-lysine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=34522-31-1 (retrieved 2024-08-20) (CAS RN: 34522-31-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Di-tert-butyl dicarbonate
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3156
Meprobamate
A carbamate with hypnotic, sedative, and some muscle relaxant properties, although in therapeutic doses reduction of anxiety rather than a direct effect may be responsible for muscle relaxation. Meprobamate has been reported to have anticonvulsant actions against petit mal seizures, but not against grand mal seizures (which may be exacerbated). It is used in the treatment of anxiety disorders, and also for the short-term management of insomnia but has largely been superseded by the benzodiazepines. (From Martindale, The Extra Pharmacopoeia, 30th ed, p603) Meprobamate is a controlled substance in the U.S. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BC - Carbamates D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
3-Hydroxysebacic acid
3-Hydroxydecanedioic is a dicarboxylic acid that belongs to the class of compounds known hydroxy fatty acids. Hydroxy fatty acids are fatty acids that have hydroxyl functional groups attached to the principal chain. 3-Hydroxydecanedioic acid is found in most vertebrates. Urine from patients with ketoacidosis typically contains a number of aliphatic 3-hydroxy dicarboxylic acids, with the major compound being 3-hydroxydecanedioic acid (PMID: 7353273). The excretion of 3-hydroxydecanedioic acid is correlated with the excretion of hexanedioic acid, another metabolite frequently found in ketoacidosis (PMID: 5031780). It is thought that the 3-hydroxy dicarboxylic acids such as 3-hydroxydecanedioic acid are formed from fatty acids by a combination of omega-oxidation and incomplete beta-oxidation (PMID: 7353273). Marked elevation of urinary 3-hydroxydecanedioic acid has also been reported in a malnourished infant with glycogen storage disease (PMID: 8295400). Subsequent studies have shown that increased amounts of dicarboxylic acids, such as 3-hydroxydecanedioic acid, are typically excreted in human urine under conditions of medium-chain triglyceride (MCT) feeding, abnormal fatty acid oxidation (FAO) and fasting (PMID: 8596483). 3-Hydroxysebacic acid is a normal urinary 3-hydroxydicarboxylic acid metabolite and can be elevated in patients with peroxisomal disorders such as Zellweger syndrome. Marked elevation of urinary 3- Hydroxysebacic acid has also been described in a malnourished infant with glycogen storage disease, mimicking long-chain L-3-hydroxyacyl-CoA dehydrogenase deficiency (OMIM 300438, a defect in the beta-oxidation of fatty acids characterized by massive excretion of 3-hydroxydicarboxylic acids in the urine and accumulation of 3-hydroxy fatty acids in serum). (PMID 12860034, 14708889, 8295400) [HMDB]
(R)-Pterosin B
(S)-Pterosin B is found in green vegetables. (S)-Pterosin B is found as glycosides in the rhizomes of Pteridium aquilinum (bracken fern Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2]. Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2].
Isoleucyl-Serine
Isoleucyl-Serine is a dipeptide composed of isoleucine 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Serylleucine
Serylleucine is a dipeptide composed of serine and leucine. 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.
cis-3-Hexenyl phenylacetate
cis-3-Hexenyl phenylacetate is a flavouring ingredient. cis-3-Hexenyl phenylacetate is present in Mentha species. Flavouring ingredient. Present in Mentha subspecies
Cinnamyl isovalerate
Cinnamyl isovalerate is used in food flavouring. It is used in food flavouring
Valylthreonine
Valylthreonine is a dipeptide composed of valine 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.
2-Hydroxydecanedioic acid
2-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders such as urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome and is a useful marker for these diseases. (PMID 2943344) [HMDB] 2-Hydroxydecanedioic acid appears in the urine of children affected with peroxisomal disorders such as urines of children with neonatal adrenoleukodystrophy and Zellweger syndrome and is a useful marker for these diseases. (PMID 2943344).
Leucyl-Serine
Leucyl-Serine is a dipeptide composed of leucine 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. This dipeptide has not yet been identified in human tissues or biofluids and so it is classified as an Expected metabolite.
Serylisoleucine
Serylisoleucine is a dipeptide composed of serine and isoleucine. 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.
Threonylvaline
Threonylvaline is a dipeptide composed of threonine and valine. 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.
5-Hydroxysebacate
5-hydroxysebacate is a metabolite found in the urine of patients with peroxismal diseases.
Dimethylbenzyl carbinyl crotonate
Dimethylbenzyl carbinyl crotonate is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Isoamyl cinnamate
Isoamyl cinnamate is a flavouring ingredient. Flavouring ingredient
2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one
2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one is found in herbs and spices. 2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one is a constituent of the oil of turmeric (Curcuma longa). Constituent of the oil of turmeric (Curcuma longa). 2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one is found in herbs and spices.
Pantothenamide
Pantothenamide is a dietary supplement as a source of pantothenic aci Dietary supplement as a source of pantothenic acid
(2R)-2-Amino-2-[[(1S)-1-carboxyethyl]amino]-4-methylpentanoic acid
7beta-ethynyl-4a,5,6,7,8,8abeta-Hexahydro-1alpha-hydroxy-1,4ab-dimethyl-2(1H)-naphthalenone
4-Amino-2-(4-methylpiperazino)-5-pyrimidinecarbonitrile
(2E,9Z)-form-2,9-Tetradecadiene-4,6-diyne-1,14-diol,
2-methoxy-4-((E)-3,3-dimethylpenta-1,4-dienyl)phenol|antidesmol
(6S)-4-hydroxy-14-norcadina-1,3,5-triene-9-one|oxyphyllone G
(4R,4aR)-6-acetyl-4,4a-dimethyl-4,4a,7,8-tetrahydronaphthalen-2(3H)-one|12-nornootkaton-6-en-11-one
(-)-tetradeca-4t,6t-diene-8,10-diyne-1,12-diol|(E,E)-form-4,6-Tetradecadiene-8,10-diyne-1,12-diol|Tetradeca-4,6-dien-8,10-diin-1,12-diol
9-(Tetrahydro-2H-pyran-2-yl)-8-nonene-4,6-diyn-3-ol,
Norpinguisone|norpinguisone methyl ester|Norsesquiterpen
PterosinB
Pterosin B is a natural product found in Pteris bella, Pteris dactylina, and other organisms with data available. Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2]. Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2].
meprobamate
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BC - Carbamates D018373 - Peripheral Nervous System Agents > D009465 - Neuromuscular Agents C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants
3-Hydroxysebacic acid
An alpha,omega-dicarboxylic acid that is decanedioic (sebacic) acid carrying a hydroxy substituent at position 3.
1COOH-2But-A7-OCH2COOH
Literature spectrum; CONFIDENCE Tentative identification: isomers possible (Level 3); Could be alkyl homologue of given structure; Digitised from figure: approximate intensities
Pterosin B
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 33 INTERNAL_ID 33; CONFIDENCE Reference Standard (Level 1) Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2]. Pterosin B, a indanone found in bracken fern (Pteridium aquilinum), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3[1][2].
2-(3-Hydroxy-4-methylphenyl)-5-methyl-4-hexen-3-one
2-(1,1,2,2,2-pentadeuterioethylamino)-1-phenylpropan-1-one,hydrochloride
3a,4,7,7a-Tetrahydro-4,7-methano-1H-indene, ethenylacetate copolymer
acetic acid,N-[2-(hydroxyamino)-2-methylcyclohexylidene]hydroxylamine
2-PIPERIDINYL(1-PYRROLIDINYL)METHANONE HYDROCHLORIDE
3-PIPERIDIN-4-YL-1,3-DIHYDRO-IMIDAZO[4,5-B]PYRIDIN-2-ONE
methyl 2,3-o-isopropylidene-alpha-l-rhamnopyranose
4-(4-fluorophenyl)-1-methylpiperidine-4-carbonitrile
1-Phenylcyclohexane-1-carboxylic acid methyl ester
Ethanone, 1-(2,8-diazaspiro[4.5]dec-8-yl)-, hydrochloride (1:1)
4-AMINO-2-(4-METHYL-1-PIPERAZINYL)-5-PYRIMIDINECARBONITRILE
4-(2-Fluorophenyl)-1-Methylpiperidine-4-carbonitrile
4-(6-METHOXY-2-METHYLPYRIDIN-3-YL)-3-METHYL-1H-PYRAZOL-5-AMINE
(1-(4-Methoxybenzyl)-1H-1,2,4-triazol-5-yl)methanamine
3-[[(1,1-Dimethylethoxy)carbonyl]amino]-L-alanine methyl ester
4-(4-methoxy-2,3,6-trimethylphenyl)-but-3-en-2-one
3-(4-Morpholinyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
Cyclohexanecarboxylic acid, 4-methyl-,phenyl ester
6-(3,4-Diaminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
Benzaldehyde, 4-(cyclopentyloxy)-2,3-dimethyl- (9CI)
N-[2-(2-Amino-benzoimidazol-1-yl)-ethyl]-acetamide
piperidin-3-yl(pyrrolidin-1-yl)methanone,hydrochloride
([2-[(tert-Butoxycarbonyl)amino]ethyl]amino)acetic acid
Propanedioic acid,2-(ethoxymethyl)-, 1,3-diethyl ester
N(6)-(1-Carboxyethyl)-L-lysine
A L-lysine derivative formed during the reaction between methylglyoxal and protein. CEL is a homologue of N(epsilon)-(carboxymethyl)lysine (CML), an advanced glycation end-product that is formed on reaction of glyoxal or glycolaldehyde with protein and on oxidative cleavage of fructoselysine, the Amadori adduct formed on glycation of protein by glucose.
(2S)-6-azaniumyl-2-{[(1R)-1-carboxylatoethyl]azaniumyl}hexanoate
Methyl 2,3-O-isopropylidene-alpha-L-rhamnopyranoside (2,2,2,3,3,3-D6)
Methyl 3,4-O-isopropylidene-beta-D-fucopyranoside (3,3,3,4,4,4-D6)
2-(Benzyloxymethyl)-4-methylenetetrahydro-4H-pyran
D-lysopine dizwitterion
A D-alpha-amino acid zwitterion that is D-lysopine arising from transfer of two protons from the carboxy to the amino groups; the major species at pH 7.3.
(2s)-2-({[(2s)-2-hydroxyoxolan-2-yl]methoxy}methyl)oxolan-2-ol
(8s,8ar)-3-ethyl-8-hydroxy-6,8a-dimethyl-7,8-dihydroazulen-1-one
(1r,5s,7r)-6,6-dimethyl-2-oxotricyclo[5.3.1.0¹,⁵]undec-9-ene-10-carbaldehyde
(3as,6ar,9ar,9bs)-6,9-dimethylidene-octahydro-3h-azuleno[4,5-b]furan-2-one
(6r)-1,5,5-trimethylspiro[5.5]undeca-1,7-diene-3,9-dione
3,4,12-trimethyl-10,13-dioxatetracyclo[7.3.1.0¹,⁹.0³,⁷]trideca-5,7-diene
5,6-diethenyl-6-methyl-3-methylidene-tetrahydro-3ah-1-benzofuran-2-one
1-acetyl-4,7-dimethyl-4,4a,5,6-tetrahydro-3h-naphthalen-2-one
5,7-dihydroxy[indan-1-spirocyclohexane]
{"Ingredient_id": "HBIN011309","Ingredient_name": "5,7-dihydroxy[indan-1-spirocyclohexane]","Alias": "NA","Ingredient_formula": "C14H18O2","Ingredient_Smile": "NA","Ingredient_weight": "218.295","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7714","PubChem_id": "NA","DrugBank_id": "NA"}
