Exact Mass: 145.0061164
Exact Mass Matches: 145.0061164
Found 300 metabolites which its exact mass value is equals to given mass value 145.0061164,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Indole-3-carboxaldehyde
Indole-3-carboxaldehyde (IAld or I3A), also known as 3-formylindole or 3-indolealdehyde, belongs to the class of organic compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of a pyrrole ring fused to benzene to form 2,3-benzopyrrole. In humans, I3A is a biologically active metabolite which acts as a receptor agonist at the aryl hydrocarbon receptor in intestinal immune cells. It stimulates the production of interleukin-22 which facilitates mucosal reactivity (PMID:27102537). I3A is a microbially derived tryptophan metabolite produced by Clostridium and Lactobacillus (PMID:30120222, 27102537). I3A has also been found in the urine of patients with untreated phenylketonuria (PMID:5073866). I3A has been detected, but not quantified, in several different foods, such as beans, Brussels sprouts, cucumbers, cereals and cereal products, and white cabbages. This could make I3A a potential biomarker for the consumption of these foods. Indole-3-carbaldehyde is a heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group. It has a role as a plant metabolite, a human xenobiotic metabolite, a bacterial metabolite and a marine metabolite. It is a heteroarenecarbaldehyde, an indole alkaloid and a member of indoles. Indole-3-carboxaldehyde is a natural product found in Euphorbia hirsuta, Derris ovalifolia, and other organisms with data available. A heteroarenecarbaldehyde that is indole in which the hydrogen at position 3 has been replaced by a formyl group. Found in barley and tomato seedlings and cotton Indole-3-carboxaldehyde. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=487-89-8 (retrieved 2024-07-02) (CAS RN: 487-89-8). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0). Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1]. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].
Oxyquinoline
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids > G01AC - Quinoline derivatives A - Alimentary tract and metabolism > A01 - Stomatological preparations > A01A - Stomatological preparations > A01AB - Antiinfectives and antiseptics for local oral treatment D - Dermatologicals > D08 - Antiseptics and disinfectants > D08A - Antiseptics and disinfectants > D08AH - Quinoline derivatives R - Respiratory system > R02 - Throat preparations > R02A - Throat preparations > R02AA - Antiseptics C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent CONFIDENCE standard compound; ML_ID 55
quinolone
KEIO_ID Q001 CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 52 CONFIDENCE standard compound; INTERNAL_ID 2491
4-Hydroxyquinoline
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 53 CONFIDENCE standard compound; INTERNAL_ID 2492 KEIO_ID H139
6-Chloro-1,3,5-triazine-2,4-diamine
CONFIDENCE standard compound; INTERNAL_ID 2022
1-Hydroxyisoquinoline
CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 70 COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
2-Keto-glutaramic acid
deaminated metabolite of glutamine in csf of patients with hepatic coma; intermediate in the detoxification of ammonia in brain; structure [HMDB] deaminated metabolite of glutamine in csf of patients with hepatic coma; intermediate in the detoxification of ammonia in brain; structure.
Aminonitrothiazole
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Diatretin 2
Diatretin 2 is found in mushrooms. Diatretin 2 is produced by Camarophyllus virgineus (snowy wax cap Production by Camarophyllus virgineus (snowy wax cap). Diatretin 2 is found in mushrooms.
6-Hydroxy-5-fluorocytosine
C4H4FN3O2 (145.02875360000002)
Gimeracil
C471 - Enzyme Inhibitor > C2019 - Dihydropyrimidine Dehydrogenase Inhibitor
2-aceto-2-hydroxy-butanoate
2-aceto-2-hydroxy-butanoate is soluble (in water) and a weakly acidic compound (based on its pKa). 2-aceto-2-hydroxy-butanoate can be found in a number of food items such as white cabbage, pistachio, pepper (c. frutescens), and yautia, which makes 2-aceto-2-hydroxy-butanoate a potential biomarker for the consumption of these food products.
Chloridazon-desphenyl
C4H4ClN3O (145.00428839999998)
CONFIDENCE standard compound; INTERNAL_ID 2036
Chloridazone-desphenyl
C4H4ClN3O (145.00428839999998)
A heteroaryl hydroxy compound that is pyridazin-3-ol substituted by an amino group at position 5 and a chloro group at position 4. It is a metabolite of the herbicide chloridazone. CONFIDENCE standard compound; EAWAG_UCHEM_ID 698
Desphenyl chloridazon
C4H4ClN3O (145.00428839999998)
CONFIDENCE standard compound; INTERNAL_ID 2774 CONFIDENCE standard compound; INTERNAL_ID 4126
Indole-3-carboxaldehyde
Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1]. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].
indole-3-aldehyde
Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1]. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].
8-HYDROXYQUINOLINE
CONFIDENCE standard compound; INTERNAL_ID 994; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4548; ORIGINAL_PRECURSOR_SCAN_NO 4543 CONFIDENCE standard compound; INTERNAL_ID 994; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3815; ORIGINAL_PRECURSOR_SCAN_NO 3813 CONFIDENCE standard compound; INTERNAL_ID 994; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4227; ORIGINAL_PRECURSOR_SCAN_NO 4222
4-FLUORO-2-AZABICYCLO[2.1.1]HEXANE-1-CARBOXYLIC ACID
(2R,3S)-O,O-DIACETYL-3-DIBENZYLAMINO-5-METHYLHEXANE-1,2-DIOL
4-Amino-6-chloro-2(1H)-pyrimidinone
C4H4ClN3O (145.00428839999998)
4(1H)-Pyrimidinone, 5-amino-6-chloro-
C4H4ClN3O (145.00428839999998)
4-Amino-5-chloro-3(2H)-pyridazinone
C4H4ClN3O (145.00428839999998)
4-AMINO-ALPHA-[(TERT-BUTYLAMINO)METHYL]-3,5-DICHLOROBENZYLALCOHOL
2-(4-chloro-1H-pyrazol-1-yl)ethanamine(SALTDATA: FREE)
6-chloro-2-hydroxy-pyridazin-3-imine
C4H4ClN3O (145.00428839999998)
2-bromo-1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propane
6-Amino-2-chloropyrimidin-4(3H)-one
C4H4ClN3O (145.00428839999998)
2-Oxoglutarate(1-)
A dicarboxylic acid monoanion resulting from selective deprotonation of the 1-carboxy group of 2-oxoglutaric acid. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
L-glutamate(2-)
D018377 - Neurotransmitter Agents > D018846 - Excitatory Amino Acids
AI3-52407
Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1]. Indole-3-carboxaldehyde (3-Formylindole), a banlangen extract, is the product of the oxidative degradation of indole-3-acetic acid (IAA) by crude enzyme preparations from etiolated pea seedlings. Indole-3-carboxaldehyde (3-Formylindole) is a biochemical used to prepare analogs of the indole phytoalexin cyclobrassinin[1].
(R)-3-Hydroxy-3-methyl-2-oxopentanoate
The conjugate base of (R)-3-hydroxy-3-methyl-2-oxopentanoic acid and R enantiomer of 3-hydroxy-3-methyl-2-oxopentanoate.
4-Hydroxy-2-oxohexanoate
A medium-chain fatty acid anion comprising hexanoate substituted at C-2 and C-4 with oxo and hydroxy groups respectively.
(S)-4-hydroxy-2-oxohexanoate
An optically active form of 4-hydroxy-2-oxohexanoate having 4S-configuration.
3-Hydroxy-3-methyl-2-oxopentanoate
The conjugate base of 3-hydroxy-3-methyl-2-oxopentanoic acid.
(S)-4-amino-4,5-dihydro-2-thiophenecarboxylic acid
dehydro-D-arabinono-1,4-lactone(1-)
An organic anion that is the conjugate base of dehydro-D-arabinono-1,4-lactone, arising from selective deprotonation of the 3-hydroxy group; major species at pH 7.3.
(S)-3-Hydroxy-3-methyl-2-oxopentanoate
The (S)-enantiomer of 3-hydroxy-3-methyl-2-oxopentanoate.
(4S)-5,6-dihydro-4H-1,3-thiazine-4-carboxylic acid
5-Nitrothiazol-2-amine
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
1-Hydroxyisoquinoline
COVID info from PDB, Protein Data Bank Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
L-glutamate(2-)
An L-alpha-amino acid anion that is the dianion obtained by the deprotonation of the both the carboxy groups of L-glutamic acid.
Glutamate(2-)
A dicarboxylic acid dianion that is the conjugate base of glutamate(1-).
Quinolin-2(1H)-one
A quinolone that is 1,2-dihydroquinoline substituted by an oxo group at position 2.
Agrocybin
A triyne amide produced by the Brazilian fungus Agrocybe perfecta (Basidiomycota).
indole-4-carbaldehyde
A heteroarenecarbaldehyde that is indole in which the hydrogen at position 4 has been replaced by a formyl group.
2-dehydropantoate
A 2-oxo monocarboxylic acid anion that results from the removal of a proton from the carboxylic acid group of 2-dehydropantoic acid.
Quinolin-2-ol
A monohydroxyquinoline carrying a hydroxy substituent at position 2. It is an intermediate metabolite produced duting the microbial degradation of quinoline.
(e)-[(2e)-3-carboxyprop-2-en-1-ylidene](methoxy)oxidoazanium
1H-indole-3-carbonxal-dehyde
{"Ingredient_id": "HBIN002593","Ingredient_name": "1H-indole-3-carbonxal-dehyde","Alias": "NA","Ingredient_formula": "C9H7NO","Ingredient_Smile": "C1=CC=C2C(=C1)C(=CN2)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39629","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3-aldehydoindole
{"Ingredient_id": "HBIN007888","Ingredient_name": "3-aldehydoindole","Alias": "NA","Ingredient_formula": "C9H7NO","Ingredient_Smile": "C1=CC=C2C(=C1)C(=CN2)C=O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "874","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-isoquinoli-nol
{"Ingredient_id": "HBIN013300","Ingredient_name": "7-isoquinoli-nol","Alias": "NA","Ingredient_formula": "C9H7NO","Ingredient_Smile": "C1=CC(=CC2=C1C=CN=C2)O","Ingredient_weight": "145.16 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "38623","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "459767","DrugBank_id": "NA"}