Exact Mass: 230.1886
Exact Mass Matches: 230.1886
Found 399 metabolites which its exact mass value is equals to given mass value 230.1886,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dodecanedioic acid
Dodecanedioic acid is an aliphatic dicarboxylic acid containing 12 carbon atoms. More formally it is an alpha,omega-dicarboxylic acid with both the first and last carbons of the aliphatic chain having carboxylic acids. Dodecanedioic acid is water soluble. It can be produced in yeast and fungi through the oxidation of dodecane via fungal peroxygenases (PMID: 27573441). High levels of dodecanedioic acid is an indicator of hepatic carnitine palmitoyltransferase I (CPT IA) deficiency (PMID: 16146704). CPT IA deficiency is characterized by hypoketotic dicarboxylic aciduria with high urinary levels of dodecanedioic acid. It is thought that carnitine palmitoyltransferase I may play a role in the uptake of long-chain dicarboxylic acids by mitochondria after their initial shortening by beta-oxidation in peroxisomes (PMID: 16146704). CPT IA deficiency is characterized by acute encephalopathy with hypoglycemia and hepatomegaly. Dodecanedioic acid is a dicarboxylic acid which is water soluble and involves in a metabolic pathway intermediate to those of lipids and carbohydrates. (PMID 9591306). Dodecanedioid acid is an indicator of hepatic carnitine palmitoyltransferase I (CPT IA) deficiency. CPT IA deficiency is characterized by hypoketotic dicarboxylic aciduria with high urinary levels of dodecanedioic acid. This C12 dicarboxylic aciduria suggests that carnitine palmitoyltransferase I may play a role in the uptake of long-chain dicarboxylic acids by mitochondria after their initial shortening by beta-oxidation in peroxisomes. (PMID: 16146704) [HMDB] Dodecanedioic acid (C12) is a dicarboxylic acid with a metabolic pathway intermediate to those of lipids and carbohydrates.
Dibutyl succinate
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents
Bis(1-methylethyl) hexanedioate
Bis(1-methylethyl) hexanedioate is a food additive [Goodscents]. Food additive [Goodscents]
Isoleucyl-Valine
Isoleucyl-Valine is a dipeptide composed of isoleucine and valine. 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.
Leucyl-Valine
Leucyl-Valine is a dipeptide composed of leucine and valine. 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.
Valylisoleucine
Valylisoleucine is a dipeptide composed of valine and isoleucine. 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.
Talaromycin A
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Talaromycin D is a mycotoxin from Talaromyces stipitatu Mycotoxin from Talaromyces stipitatus.
3-hydroxytridecanoic acid
3-Hydroxytridecanoic acid is a long-chain hydroxy fatty acid. In humans fatty acids are predominantly formed in the liver and adipose tissue, and mammary glands during lactation.
1,1-Dihexyloxyethane
1,1-Dihexyloxyethane is found in fruits. 1,1-Dihexyloxyethane is present in strawberry volatiles. Present in strawberry volatiles. 1,1-Dihexyloxyethane is found in fruits.
Capryloylcholine
Capryloylcholine is a fatty acid-choline as the ester product of Capryloic acid and cholinel. The pharmacological effects of a series of fatty acid-choline esters have been studied on the isolated rabbit heart, the isolated guinea-pig ileum and the rat stomach. The effect changed with increasing chain length, and three different types of response were observed. The shortchain compounds produced depression of the isolated rabbit heart and spasm of the isolated guinea-pig ileum. Only one, butyrylcholine, had an erratic stimulating effect on hydrochloric acid secretion by the partially vagotomized rat stomach. Medium-chain compounds had a stimulating effect on the isolated rabbit heart, a mixed spasmogenic and relaxant effect on the isolated guinea-pig ileum, and no effect on the rat stomach. Long-chain compounds blocked the effect of acetylcholine on the isolated rabbit heart and the isolated guinea-pig ileum; they also depressed spontaneous hydrochloric acid secretion by the rat stomach. Capryloylcholine is a fatty acid-choline as the ester product of Capryloic acid and cholinel.
Ibudilast
Ibudilast is an anti-inflammatory and neuroprotective oral agent which shows an excellent safety profile at 60 mg/day and provides significantly prolonged time-to-first relapse and attenuated brain volume shrinkage in patients with relapsing-remitting (RR) and/or secondary progressive (SP) multiple sclerosis (MS). Ibudilast is currently in development in the U.S. (codes: AV-411 or MN-166), but is approved for use as an antiinflammatory in Japan. R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DC - Leukotriene receptor antagonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Valylleucine
Valylleucine is a dipeptide composed of valine and leucine. 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.
Dodecanal dimethyl acetal
Dodecanal dimethyl acetal 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 .
3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol
3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol is a physiological cooling agent used in food and beverage Physiol. cooling agent used in food and beverages
Dipropyl hexanedioate
Dipropyl hexanedioate is a food additive [Goodscents]. Food additive [Goodscents]
2-(Dodecyloxy)ethanol
D019999 - Pharmaceutical Solutions > D012597 - Sclerosing Solutions D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D013501 - Surface-Active Agents > D003902 - Detergents D001697 - Biomedical and Dental Materials D002317 - Cardiovascular Agents
Propyphenazone
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
4-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)oxolan-2-one
6-Peroxy-7(9)-dehydro-2,3,6,7-tetrahydrogeranyl acetate
4-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one
Propyphenazone
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents CONFIDENCE standard compound; INTERNAL_ID 2653 CONFIDENCE standard compound; INTERNAL_ID 2272 CONFIDENCE standard compound; INTERNAL_ID 8550
DIMETHYL SEBACATE
A fatty acid methyl ester that is sebacic acid in which both carboxy groups are replaced by methoxycarbonyl groups.
tert-butyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
(all-E)-6,8,12,14-Hexadecatetraen-10-yn-1-ol|6,8,12,14-Hexadecatetraen-10-yn-1-ol|all trans-Hexadecatetraen-(6.8.12.14)-in-(10)-ol|Hexadeca-6t,8t,12t,14t-tetraen-10-in-1-ol|hexadeca-6t,8t,12t,14t-tetraen-10-yn-1-ol
Hexadeca-7c,14t-dien-10,12-diin-1-ol|hexadeca-7c,14t-diene-10,12-diyn-1-ol|Hexadecadien-(7c,14t)-diin-(10,12)-ol-(1)|Hexadecadien-(7cis.14trans)-diin-(10.12)-ol
(Z)-13,15-hexadecadien-2,4-diyn-1-ol|(Z)-13,15-hexadecadiene-2,4-diyn-1-ol
1,2-Dimethyl-6-methoxy-1,2,3,4-tetrahydro-beta-carboline
1-propyl-2,3,4,9-tetrahydro-1H-beta-carbolin-6-ol|1-Propyl-6-hydroxy-1,2,3,4-tetrahydro-2-carboline|1-Propyl-6-hydroxyl-1,2,3,4-tetrahydro-beta-carboline|schobericine|schobicine
(3R,4S,5S,9S)-3,5,9-trihydroxy-4-methylundecanoic acid delta-lactone|(4R,5S,6S)-4-hydroxy-6-[(4S)-4-hydroxyhexyl]-5-methyltetrahydro-2H-2-pyranone|3R-hydroxy-4S-methyl-5S,9S-hydroxyundecanoic acid-gamma-lactone
4-allyl-1,2,5,6,11,11a-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-10-one|Dehydro-albin|Dehydroalbin
6-(1,1-Dimethyl-2-propenyl)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran
Hexadeca-7c,12t,14t-trien-10-in-1-al|hexadeca-7c,12t,14t-trien-10-ynal
13-Hydroxytridecanoic acid
An omega-hydroxy fatty acid that is tridecanoic acid in which one of the hydrogens of the terminal methyl group is replaced by a hydroxy group.
2-hydroxytridecanoic acid
A 2-hydroxy fatty acid that is tridecanoic acid substituted by a hydroxy group at position 2.
Propyphenazon
N - Nervous system > N02 - Analgesics > N02B - Other analgesics and antipyretics > N02BB - Pyrazolones C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics CONFIDENCE standard compound; INTERNAL_ID 4071 D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one
DODECANEDIOIC ACID
An alpha,omega-dicarboxylic acid that is dodecane in which the methyl groups have been oxidised to the corresponding carboxylic acids. Dodecanedioic acid (C12) is a dicarboxylic acid with a metabolic pathway intermediate to those of lipids and carbohydrates.
5-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)oxolan-2-one
Talaromycin A
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one [IIN-based on: CCMSLIB00000846526]
5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one [IIN-based: Match]
5-(hydroxymethyl)-3-(1-hydroxy-5-methylhexyl)oxolan-2-one_major
Ketas
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DC - Leukotriene receptor antagonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Ile-val
A dipeptide formed from L-isoleucine and L-valine residues.
Leu-Val
A dipeptide formed L-leucine and L-valine residues.
Val-ile
A dipeptide formed from L-valine and L-isoleucine residues.
Val-leu
A dipeptide formed from L-valine and L-leucine residues.
N1,N8-Diacetylspermidine
Thiourea, N-(4-methyl-1-piperazinyl)-N-(2-methylpropyl)- (9CI)
N-[4-(DIMETHYLAMINO)BENZYL]-N-(2-FURYLMETHYL)AMINE
5-tert-butyl-2-(6-methylpyridin-3-yl)pyrazol-3-amine
1-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)ETHANONE
Trans-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)styrene
Tert-butyl 3-(hydroxymethyl)piperidin-3-ylcarbamate
(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoic acid
(3S,4R)-TERT-BUTYL 4-AMINO-3-METHOXYPIPERIDINE-1-CARBOXYLATE
1-hexyl-3-methyl-1,2-dihydroimidazol-1-ium,nitrate
2-Naphthalenecarboxaldehyde,5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-
1H-1,5-Benzodiazepine,2-ethyl-2,3-dihydro-2,3,4,8-tetramethyl-(9CI)
tert-butyl-dimethyl-[1-[(2-methylpropan-2-yl)oxy]ethenoxy]silane
N,N-dimethyl-2-(5-propan-2-yl-1H-indol-3-yl)ethanamine
(R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester
tert-butyl (2S,4R)-4-amino-2-(MethoxyMethyl)pyrrolidine-1-carbox
3-(PYRROLIDIN-1-YLCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
3S,4S-4-aminomethyl-3-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
1-Benzyl-4-(Hydroxymethyl)piperidine-4-carbonitrile
Propanedioic acid,2-butyl-2-methyl-, 1,3-diethyl ester
(1H-Indol-3-ylmethyl)-(tetrahydro-furan-2-ylmethyl)-amine
4,4,5,5-tetramethyl-2-(1-phenylethenyl)-1,3,2-dioxaborolane
(S)-tert-Butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate
tert-butyl 3-(hydroxymethyl)-1,4-diazepane-1-carboxylate
1H-1,5-Benzodiazepine,2,4-diethyl-2,3-dihydro-2,8-dimethyl-(9CI)
tert-butyl 2-(2-aminoethyl)morpholine-4-carboxylate
Diacetone alcohol peroxide(in a mixture,content≤57\\%,containing≥8\\% water,≤26\\%diacetone alcohol,≤9\\% hydrogen peroxide,≤10\\% available oxygen)
(1R,2S,5R)-5-Methyl-2-(1-methylethyl)cyclohexyl dihydroxy-acetate
tert-butyl 2-(2-hydroxyethyl)piperazine-1-carboxylate
(3R*,4S*,5S*,8ζ)-3,4-Epoxy-5-isopropyl-2-methyl-2,8-nonanediol
tert-Butyl (3R,4R)-4-(aminomethyl)-3-hydroxypiperidine-1-carboxylate
CYCLOHEXANO-12-CROWN-4, MIXTURE OF CIS AND TRANS, 93
tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
3,9-Diazaspiro[5.5]undecane, 3-cyclopropyl-, hydrochloride (1:1)
tert-butyl 3-(2-hydroxyethyl)piperazine-1-carboxylate
4-Piperidinecarbonitrile,4-(3-methoxyphenyl)-1-methyl-
TERT-BUTYL 4-(AMINOMETHYL)-4-HYDROXYPIPERIDINE-1-CARBOXYLATE
2-(3-Methylbut-2-enyl)-4-(2-methylbut-3-en-2-yl)phenol
A natural product found particularly in Sporochnus pedunculatus and Sporochnus comosus.
(S)-2-((S)-2-Amino-3-methylbutanamido)-4-methylpentanoic acid
7-Methoxy-2,5-dimethyl-1,2,3,4-tetrahydropyrimido[3,4-a]-indole
Ibudilast
R - Respiratory system > R03 - Drugs for obstructive airway diseases > R03D - Other systemic drugs for obstructive airway diseases > R03DC - Leukotriene receptor antagonists D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D004791 - Enzyme Inhibitors > D010726 - Phosphodiesterase Inhibitors D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-(Dodecyloxy)ethanol
D019999 - Pharmaceutical Solutions > D012597 - Sclerosing Solutions D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D013501 - Surface-Active Agents > D003902 - Detergents D001697 - Biomedical and Dental Materials D002317 - Cardiovascular Agents
(2S,3S)-2-((S)-2-Amino-3-methylbutanamido)-3-methylpentanoic acid
(3S)-3-[[(3S)-3-aminobutanoyl]amino]-5-methylhexanoic acid
(3R,4R)-3-[(1S)-1-Hydroxy-4-methylhexyl]-4-(hydroxymethyl)tetrahydrofuran-2-one
(2S)-2-[[(2S)-2-azaniumyl-4-methylpentanoyl]amino]-3-methylbutanoate
[(2S)-2-[(E)-but-2-enoyl]oxy-3-carboxypropyl]-trimethylazanium
[(E)-2-(carboxymethyl)-2-hydroxy-3-oxohex-4-enyl]-trimethylazanium
(2-But-3-enoyloxy-3-carboxypropyl)-trimethylazanium
6-methyl-2-(4-methyl-1-piperazinyl)-1H-benzimidazole
5-(Hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-one
(12R)-12-hydroxytridecanoic acid
An (omega-1)-hydroxy fatty acid that is tridecanoic acid in which the 12-pro-R hydrogen is replaced by a hydroxy group.
2-[(2-Azaniumyl-3-methylbutanoyl)amino]-3-methylpentanoate
(2E)-2-(3,3-Dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide
[(2R)-2-[(E)-but-2-enoyl]oxy-3-carboxypropyl]-trimethylazanium
7,11-Dimethyl-3-methylenecyclotetradeca-1(E),6(E),10(E)-triene
DIBUTYL SUCCINATE
P - Antiparasitic products, insecticides and repellents > P03 - Ectoparasiticides, incl. scabicides, insecticides and repellents > P03B - Insecticides and repellents
3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]propane-1,2-diol
(2s,3s)-2-[(2s)-n-hydroxy-2-methylbutanamido]-3-methylpentanimidic acid
(3r,4r)-3-[(1s)-1-hydroxyheptyl]-4-(hydroxymethyl)oxolan-2-one
(4r,5s,6s)-4-hydroxy-6-[(4s)-4-hydroxyhexyl]-5-methyloxan-2-one
(2s)-4-[(1s,4s,6r)-4-hydroxy-2,2,6-trimethylcyclohexyl]butane-1,2-diol
1,14-Tetradecanediol
{"Ingredient_id": "HBIN000315","Ingredient_name": "1,14-Tetradecanediol","Alias": "NA","Ingredient_formula": "C14H30O2","Ingredient_Smile": "C(CCCCCCCO)CCCCCCO","Ingredient_weight": "230.39 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "40673","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "88261","DrugBank_id": "NA"}
2,2-Dicyclohexylmalononitrile
{"Ingredient_id": "HBIN003693","Ingredient_name": "2,2-Dicyclohexylmalononitrile","Alias": "NA","Ingredient_formula": "C15H22N2","Ingredient_Smile": "C1CCC(CC1)C(C#N)(C#N)C2CCCCC2","Ingredient_weight": "230.35 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32301","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "557872","DrugBank_id": "NA"}
