Exact Mass: 332.1583434
Exact Mass Matches: 332.1583434
Found 500 metabolites which its exact mass value is equals to given mass value 332.1583434,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Gibberellin A4
A C19-gibberellin, initially identified in Gibberella fujikuroi and differing from gibberellin A1 by the substitution of the OH at C-7 (gibbane numbering) by H. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins Acquisition and generation of the data is financially supported in part by CREST/JST. CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 16
Isoxaben
CONFIDENCE standard compound; INTERNAL_ID 1345; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9075; ORIGINAL_PRECURSOR_SCAN_NO 9073 CONFIDENCE standard compound; INTERNAL_ID 1345; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9024; ORIGINAL_PRECURSOR_SCAN_NO 9022 CONFIDENCE standard compound; INTERNAL_ID 1345; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9028; ORIGINAL_PRECURSOR_SCAN_NO 9026 CONFIDENCE standard compound; INTERNAL_ID 1345; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9053; ORIGINAL_PRECURSOR_SCAN_NO 9051 CONFIDENCE standard compound; INTERNAL_ID 1345; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4422; ORIGINAL_PRECURSOR_SCAN_NO 4418 CONFIDENCE standard compound; INTERNAL_ID 1345; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4419; ORIGINAL_PRECURSOR_SCAN_NO 4415 CONFIDENCE standard compound; INTERNAL_ID 1345; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4405; ORIGINAL_PRECURSOR_SCAN_NO 4403 CONFIDENCE standard compound; INTERNAL_ID 1345; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9051; ORIGINAL_PRECURSOR_SCAN_NO 9050 CONFIDENCE standard compound; INTERNAL_ID 1345; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4412; ORIGINAL_PRECURSOR_SCAN_NO 4407 CONFIDENCE standard compound; INTERNAL_ID 1345; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9060; ORIGINAL_PRECURSOR_SCAN_NO 9059 CONFIDENCE standard compound; INTERNAL_ID 1345; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4422; ORIGINAL_PRECURSOR_SCAN_NO 4419 CONFIDENCE standard compound; INTERNAL_ID 1345; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4387; ORIGINAL_PRECURSOR_SCAN_NO 4384 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3602 CONFIDENCE standard compound; INTERNAL_ID 2599
Spectinomycin
Spectinomycin is only found in individuals that have used or taken this drug. It is an antibiotic produced by Streptomyces spectabilis. It is active against gram-negative bacteria and used for the treatment of gonorrhea. Spectinomycin is an inhibitor of protein synthesis in the bacterial cell; the site of action is the 30S ribosomal subunit. It is bactericidal in its action. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic KEIO_ID S044; [MS2] KO009242 KEIO_ID S044
gibberellin A20
A C19-gibberellin that is a pentacyclic diterpenoid responsible for promoting growth and development. Initially identified in Gibberella fujikuroi, it differs from gibberellin A1 in lacking an OH group at C-2 (gibbane numbering).
Gibberellin A40
Gibberellin a51 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a51 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a51 can be found in a number of food items such as pepper (c. baccatum), mugwort, garlic, and common cabbage, which makes gibberellin a51 a potential biomarker for the consumption of these food products. Found in immature seeds of Pisum sativum (pea)
Zanamivir
Zanamivir is only found in individuals that have used or taken this drug. It is a guanido-neuraminic acid that is used to inhibit neuraminidase. [PubChem]The proposed mechanism of action of zanamivir is via inhibition of influenza virus neuraminidase with the possibility of alteration of virus particle aggregation and release. By binding and inhibiting the neuraminidase protein, the drug renders the influenza virus unable to escape its host cell and infect others. J - Antiinfectives for systemic use > J05 - Antivirals for systemic use > J05A - Direct acting antivirals > J05AH - Neuraminidase inhibitors D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C254 - Anti-Infective Agent > C281 - Antiviral Agent D004791 - Enzyme Inhibitors
Trichothecin
A trichothecene mycototoxin isolated from the endophytic fungus Trichothecium sp. and it exhibits anti-cancer properties. D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
17-Oxo Dexamethasone
C20H25FO3 (332.17876319999993)
9-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1,4-diene-3,17-dione
C20H25FO3 (332.17876319999993)
Gibberellin A51
Gibberellin A51 (GA51) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Thus, gibberellin A51 is considered to be an isoprenoid lipid molecule. Gibberellin A51 is found in apple. Gibberellin A51 is found in immature seeds of Pisum sativum (pea). Found in immature seeds of Pisum sativum (pea)
(R)-Marmin
(R)-Marmin is found in citrus. (R)-Marmin is a constituent of grapefruit peel and bael fruit (Aegle marmelos)
Gibberellin A45
Gibberellin A45 (GA45) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A45 is found in apple. Gibberellin A45 is a constituent of Pyrus communis (pear). Constituent of Pyrus communis (pear). Gibberellin A45 is found in many foods, some of which are pomes, sunflower, apple, and pear.
Gibberellin A70
Gibberellin A70 (GA70) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A70 is a constituent of immature Prunus persica (peach) seeds. Constituent of immature Prunus persica (peach) seeds. Gibberellin A70 is found in apple, fruits, and okra.
Gibberellin A61
Gibberellin A61 (GA61) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A61 is a constituent of Triticum aestivum (wheat). Constituent of Triticum aestivum (wheat). Gibberellin A61 is found in many foods, some of which are cereals and cereal products, peach, apple, and loquat.
Tryptophyl-Glutamine
C16H20N4O4 (332.14844800000003)
Tryptophyl-Glutamine is a dipeptide composed of tryptophan and glutamine. 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.
Glutaminyltryptophan
C16H20N4O4 (332.14844800000003)
Glutaminyltryptophan is a dipeptide composed of glutamine and tryptophan. 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.
Tryptophyl-Gamma-glutamate
C16H20N4O4 (332.14844800000003)
Tryptophyl-Gamma-glutamate is a dipeptide composed of tryptophan and gamma-glutamate. 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.
meta-O-Dealkylated flecainide
meta-O-Dealkylated flecainide is a metabolite of flecainide. Flecainide acetate is a class Ic antiarrhythmic agent used to prevent and treat tachyarrhythmias (abnormal fast rhythms of the heart). It is used to treat a variety of cardiac arrhythmias including paroxysmal atrial fibrillation (episodic irregular heartbeat originating in the upper chamber of the heart), paroxysmal supraventricular tachycardia (episodic rapid but regular heartbeat originating in the atrium), and ventricular tachycardia (rapid rhythms of the lower chambers of the heart). (Wikipedia)
1-p-Menthen-3-one
C16H20N4O4 (332.14844800000003)
1-p-menthen-3-one is a member of the class of compounds known as aromatic monoterpenoids. Aromatic monoterpenoids are monoterpenoids containing at least one aromatic ring. 1-p-menthen-3-one is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 1-p-menthen-3-one can be found in cornmint, which makes 1-p-menthen-3-one a potential biomarker for the consumption of this food product.
Gibberellin A4
Gibberellin a4 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a4 is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a4 can be found in a number of food items such as passion fruit, dandelion, mamey sapote, and vanilla, which makes gibberellin a4 a potential biomarker for the consumption of these food products. D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins
Gibberellin A20
Gibberellin a20 is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a20 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a20 can be found in a number of food items such as soursop, nopal, breadnut tree seed, and red huckleberry, which makes gibberellin a20 a potential biomarker for the consumption of these food products.
ArnicolideD
Arnicolide D is a sesquiterpene lactone. Arnicolide D is a natural product found in Centipeda minima, Arnica montana, and Arnica acaulis with data available. Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1]. Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1]. Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1].
Sparm
C15H26N2.H2SO4 (332.17696880000005)
A quinolizidine alkaloid isolated from several FABACEAE including LUPINUS; SPARTIUM; and CYTISUS. It has been used as an oxytocic and an anti-arrhythmia agent. It has also been of interest as an indicator of CYP2D6 genotype. D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D012102 - Reproductive Control Agents > D010120 - Oxytocics
[1aR-(1aalpha,3alpha,4beta,4abeta,5beta,9aS*)]- 1a,2,4,4a,5,9-Hexahydro-5-hydroxy-4,4a,6-trimethyl-3H-oxireno[8,8a]naphtho[2,3-b]furan-3-yl ester 2-methyl-2-propenoic acid
asperfuranone
A member of the class of 2-benzofurans that is 6,7-dihydro-2-benzofuran-4(5H)-one that is substituted at positions 5 and 6 by hydroxy groups, at position 5 by a methyl group and at position 1 by a (2E,4E,6S)-4,6-dimethylocta-2,4-dienoyl group (the 5S,6R-diastereoisomer). A polyketide that was first obtained from the fungus Aspergillus nidulans by using a genomic mining approach.
2-amino-5-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1,3-thiazol-4-one
7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethylhepta-1,3-dienyl]-7-methyl-8H-isochromen-6-one
11alpha,13-dihydro-8alpha-methacryloyloxyzaluzanine C
1beta-1,12-Deacetoxy-6,9,11,-eremophilatrien-8-one
8alpha-methacryloyloxy-4beta,5alpha-epoxy-trans-germacra-1(10)-en-12,6beta-olide
(+)-(3S*,4S*,5R*)-(E)-4-hydroxy-3-isovaleroyloxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro<4,5>decane|(+)-(3S*,4S*,5R*)-(E)-4-hydroxy-3-isovaleroyloxy-2-(hexa-2,4-diynyliden)-1,6-dioxaspiro[4,5]decane|(+)-(3S*,4S*,5R*)-(E)-4-hydroxy-3-isovaleroyloxy-2-(hexa-2,4-diynylidene)-1,6-dioxaspiro[4,5]decane
6beta-Angeloyloxy-4alpha-hydroxy-9-oxo-furano-eremophilon
1beta,10beta-epoxy-6beta-{[2-(hydroxymethyl)prop-2-enoyl]oxy}furanoeremophilane|1beta,10beta-Epoxy-furanoeremophilan-6beta-yl-(2-hydroxy-methyl-prop-2-enoat)|1beta,10beta-Epoxy-furanoeremophilan-6beta-yl-<2-hydroxy-methyl-prop-2-enoat>
3,6,8-trihydroxy-3-[3,5-dimethyl-2-oxo-3(E)-heptenyl]-2,3-dihydronaphthalen-1(4H)-one
4alpha-Hydroxy-6beta-(2-methylacryloyloxy)-9-oxofuranoeremophilon
methyl-3-prenyl-4-O-(beta-hydroxybutyryl)-coumarate
5,7-Dihydroxy-8-(2-mehtyl-1-oxobutyl)-4-pentyl-2H-1-benzopyran-4-one|5,7-dihydroxy-8-(2-methyl-butyryl)-4-pentyl-chromen-2-one|5,7-dihydroxy-8-(2-methylbutyryl)-4-pentylcoumarin|mammea C/OB
8alpha-isobutyryloxy-9-oxo-germacra-4E,1(10)Z-dien-6beta,12-olide
(4S,8R,9R,10S,12S)-15,16-epoxy-4,18-dihydroxy-19-nor-neocleroda-5,13(16),14-trien-20,12-olide|teupolin VIII
(E)-5-hydroxy-4-(4-hydroxybenzyl)-3-methoxystilbene
(6E)-6-[(2R)-2-(beta-D-glucopyranosyloxy)cyclopropylidene]hexanoic acid
4,6-Dihydroxy-3-[3-methyl-2-butenyl]-5-[4-hydroxy-3-methyl-2-butenyl]-cinnamic acid
(E)-4-(6-phenyltetracyclo<5,4,2,03.13,010.12>trideca-4,8-dien-11-yl)but-2-enoic acid|(E)-4-(6-phenyltetracyclo[5,4,2,03.13,010.12]trideca-4,8-dien-11-yl)but-2-enoic acid|Endiandric acid B
2-Methoxy-4-[2-[2-hydroxy-3-methoxy-5-(3-hydroxypropyl)phenyl]ethyl]phenol
Methyl 15,16,17,18,19,20-hexadehydroyohimban-16-carboxylate #
11alpha,13-dihydro-3beta-methacryloyloxyzaluzanine C
3alpha,4alpha-Epoxy-2alpha-isobutyryloxykauniolide
2-(1-Methoxy-3-phenylpropyl)-3,5,6-trimethoxyphenol
3-hydroxy-nagilactone F|3beta-hydroxynagilactone F
6-(2,3-dihydroxy-3-methylbutyl)-8-prenylumbelliferone
(1S,5R,10R,7E,11Z)-5-hydroxy-1-isopropenyl-3,6-dioxocyclotetradeca-8-methyl-7,11-dien-10,12-carbolactone|gyrosanolide D
1EC,10EC-Epoxy-6EC-isobutyryloxy-9-oxofuranoeremophilane
(S)-5-((Carboxymethyl)amino)-4-((S)-2,6-diaminohexanamido)-5-oxopentanoic acid
Spectinomycin
A pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use C784 - Protein Synthesis Inhibitor > C2363 - Aminoglycoside Antibiotic D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents C254 - Anti-Infective Agent > C258 - Antibiotic relative retention time with respect to 9-anthracene Carboxylic Acid is 0.046 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.045
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol
4-[3,5-dihydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol
C19H24O5_6H-2-Benzopyran-6-one, 7,8-dihydro-7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl
C19H24O5_2-Propenoic acid, 2-methyl-, (3S,3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl ester
Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1]. Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1]. Arnicolide D is a sesquiterpene lactone isolated from Centipeda minima. Arnicolide D modulates the cell cycle, activates the caspase signaling pathway and inhibits the PI3K/AKT/mTOR and STAT3 signaling pathways. Arnicolide D inhibits Nasopharyngeal carcinoma (NPC) cell viability in a concentration- and time-dependent manner[1].
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol [IIN-based: Match]
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol [IIN-based on: CCMSLIB00000848242]
7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethylhepta-1,3-dienyl]-7-methyl-8H-isochromen-6-one_major
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol_major
7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethylhepta-1,3-dienyl]-7-methyl-8H-isochromen-6-one_85.7\\%
1-[2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methylbutane-2,3-diol_56.5\\%
7,8-dihydroxy-3-[(1E,3E)-7-hydroxy-3,5-dimethylhepta-1,3-dienyl]-7-methyl-8H-isochromen-6-one_minor
Ala Ala Ala Thr
Ala Ala Asp Gly
Ala Ala Thr Ala
Ala Asp Ala Gly
Ala Asp Gly Ala
Ala Glu Gly Gly
Ala Gly Ser Val
Ala Gly Val Ser
Ala Ser Gly Val
Ala Ser Val Gly
Ala Thr Ala Ala
Ala Val Gly Ser
Ala Val Ser Gly
Gly Ala Ser Val
Gly Ala Val Ser
Gly Gly Ile Ser
Gly Gly Leu Ser
Gly Gly Ser Ile
Gly Gly Ser Leu
Gly Gly Thr Val
Gly Gly Val Thr
Gly Ile Gly Ser
Gly Ile Ser Gly
Gly Leu Gly Ser
Gly Leu Ser Gly
Gly Ser Ala Val
Gly Ser Gly Ile
Gly Ser Gly Leu
Gly Ser Ile Gly
Gly Ser Leu Gly
Gly Ser Val Ala
Gly Thr Gly Val
Gly Thr Val Gly
Gly Val Ala Ser
Gly Val Gly Thr
Gly Val Ser Ala
Gly Val Thr Gly
Ile Gly Gly Ser
Ile Gly Ser Gly
Ile Ser Gly Gly
Leu Gly Gly Ser
Leu Gly Ser Gly
Leu Ser Gly Gly
Ser Ala Gly Val
Ser Ala Val Gly
Ser Gly Ala Val
Ser Gly Gly Ile
Ser Gly Gly Leu
Ser Gly Ile Gly
Ser Gly Leu Gly
Ser Gly Val Ala
Ser Ile Gly Gly
Ser Leu Gly Gly
Ser Val Ala Gly
Ser Val Gly Ala
Thr Ala Ala Ala
Thr Gly Gly Val
Thr Gly Val Gly
Thr Val Gly Gly
Val Ala Gly Ser
Val Ala Ser Gly
Val Gly Ala Ser
Val Gly Gly Thr
Val Gly Ser Ala
Val Gly Thr Gly
Val Ser Ala Gly
Val Ser Gly Ala
Val Thr Gly Gly
GLN-TRP
C16H20N4O4 (332.14844800000003)
TRP-GLN
C16H20N4O4 (332.14844800000003)
TRP-GGlu
C16H20N4O4 (332.14844800000003)
GGlu-TRP
C16H20N4O4 (332.14844800000003)
Gibberellin A61
Gibberellin A45
Gibberellin A70
1-[2-Hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylphenyl]-3-methyl-2,3-butanediol
tert-butyl 6-methoxy-2-oxospiro[1H-indole-3,4-piperidine]-1-carboxylate
tert-butyl 6-amino-4-oxospiro[3H-chromene-2,4-piperidine]-1-carboxylate
tert-Butyl 5-methoxy-2-oxospiro[indoline-3,4-piperidine]-1-carboxylate
4-(trans-4-Propylcyclohexyl)-3,4,5-trifluorobiphenyl
4-CHLORO-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDIN-2-AMINE
tert-Butyl 4-(2-cyano-4-nitrophenyl)piperazine-1-carboxylate
C16H20N4O4 (332.14844800000003)
4-(TRANS-4-ETHYLCYCLOHEXYL)-4-(TRIFLUOROMETHYL)-1,1-BIPHENYL
Ethyl 5-[(4-N-Boc-amino)phenyl]-1,3-oxazole-4-carboxylate
[2-hydroxy-3-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)propoxy]propyl] prop-2-enoate
N-(4-(PYRIDIN-4-YLMETHYL)PHENYL)-2-(O-TOLYLOXY)ACETAMIDE
4-ETHOXY-N-(4-(PYRIDIN-4-YLMETHYL)PHENYL)BENZAMIDE
1-Pyrrolidinecarboxylic acid, 3-[(4-cyano-2-methoxyphenoxy)methyl]-, 1,1-dimethylethyl ester
1,1,2,3-Propanetetracarboxylicacid, 1,1,2,3-tetraethyl ester
N1,N1-DIETHYL-N2-(NAPHTHALEN-1-YL)ETHANE-1,2-DIAMINE OXALATE
METHYL 3-(CYCLOPROPYLMETHOXY)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
C18H25BO5 (332.17949500000003)
(E)-TERT-BUTYL 4-(HYDROXYIMINO)SPIRO[CHROMAN-2,4-PIPERIDINE]-1-CARBOXYLATE
Triprolidine hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D018926 - Anti-Allergic Agents Triprolidine hydrochloride monohydrate, a first-generation antihistamine, is an oral active histamine H1 antagonist. Triprolidine hydrochloride monohydrate can be used for the research of allergic rhinitis. Triprolidine hydrochloride monohydrate exhibits spinal motor and sensory block in rats[1][2][3].
1-(4-ISOBUTYLPHENYL)-3-[4-(TRIFLUOROMETHYL)PHENYL]PROP-2-EN-1-ONE
Palonosetron Hydrochloride
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist > C94726 - 5-HT3 Receptor Antagonist D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents Palonosetron hydrochloride is a 5-HT3 antagonist that inhibits chemotherapy-induced nausea and vomiting (CINV).
2,2-dimethylpropane-1,3-diol,ethane-1,2-diol,terephthalic acid
KW-2449
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
n-(2-hydroxyethyl)-n-methylguanidine sulfate (2:1)
C8H24N6O6S (332.14779640000006)
1-(TERT-BUTOXYCARBONYL)SPIRO[INDOLINE-3,4-PIPERIDINE]-5-CARBOXYLIC ACID
5-O-benzyl 7a-O-ethyl (3aR,7aR)-2,3,3a,4,6,7-hexahydro-1H-pyrrolo[3,4-c]pyridine-5,7a-dicarboxylate
ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indole-5-carboxylate
(4R,4R)-2,2-Cyclopropylidenebis[4,5-dihydro-4-phenyloxazole]
1,3-Dioxane, 5-butyl-2-(3,5-difluoro[1,1-biphenyl]-4-yl)-, trans-
(4S,4S)-2,2-Cyclopropylidenebis[4,5-dihydro-4-phenyloxazole],99\\%e.e.
2,8-Diazaspiro[4.5]decane-2-carboxylic acid, 8-(methylsulfonyl)-, 1,1-dimethylethyl ester
C15H28N2O4S (332.17696880000005)
TERT-BUTYL4-(2-OXO-2,4-DIHYDRO-1H-BENZO[D][1,3]OXAZIN-1-YL)PIPERIDINE-1-CARBOXYLATE
N~2~-1h-Benzimidazol-5-Yl-N~4~-(3-Cyclopropyl-1h-Pyrazol-5-Yl)pyrimidine-2,4-Diamine
9H-Purine-9-propanamide, 1,6-dihydro-6-oxo-N-(3-(2-oxo-1-pyrrolidinyl)propyl)-
9alpha-Fluoro-11beta-hydroxy-16alpha-methylandrosta-1,4-diene-3,17-dione
C20H25FO3 (332.17876319999993)
(1aR,4S,4aS,5S,9aS)-4,4a,6-Trimethyl-9-oxo-2,3,4,4a,5,9-hexahydro-1aH-oxireno[8,8a]naphtho[2,3-b]furan-5-yl 2-methylpropanoate
A natural product found in Pittocaulon velatum.
6-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]hexanoic acid
C16H20N4O4 (332.14844800000003)
4-(6-Methyl-4-phenylquinazolin-2-yl)piperazine-1-carbaldehyde
6-Ethyl-7-hydroxy-4-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one
N-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-2-(1-naphthalenyl)acetohydrazide
C18H16N6O (332.13855259999997)
(2S)-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]acetyl]amino]pentanedioic Acid
(2E,3E)-2-((((R)-4-Methyl-5-oxo-2,5-dihydrofuran-2-yl)oxy)methylene)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-enoic acid
(1s,2r,3s,4r,5r)-2,3,4-Trihydroxy-N-Octyl-6-Oxa-8-Azabicyclo[3.2.1]octane-8-Carbothioamide
C15H28N2O4S (332.17696880000005)
(3z,5s,6r,7s,8r,8as)-3-(Octylimino)hexahydro[1,3]thiazolo[3,4-A]pyridine-5,6,7,8-Tetrol
C15H28N2O4S (332.17696880000005)
2-[4-[[4-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]ethanol
C18H16N6O (332.13855259999997)
4-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
4-[3,5-Dihydroxy-7-(4-hydroxyphenyl)heptyl]benzene-1,2-diol
CID 11681509
D006133 - Growth Substances > D010937 - Plant Growth Regulators > D005875 - Gibberellins
Rhabduscin
An isocyanide that is the 4-acetamido-4,6-dideoxy-beta-L-galactopyranoside of p-[(E)-2-isocyanovinyl]phenol. Produced by the gram-negative insect pathogens, Xenorhabdus nematophila and Photorhabdus luminescens, it is a potent nanomolar-level inhibitor of phenoloxidase, a key component of the insects innate immune system.
[(1S,2R,3R,5S,12R)-1,2,6-trimethylspiro[4,9-dioxatetracyclo[8.2.1.02,8.03,5]tridec-6-ene-13,2-oxirane]-12-yl] (Z)-but-2-enoate
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(1R,2R,5S,8S,9S,10R,11S)-5-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(1R,2R,5R,8R,9S,10R,11S,13S)-13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(1R,2R,5R,8R,9S,10R,11S,13R)-13-hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
(2S)-2-[[(2S)-4-methyl-2-(2-oxopropanoylamino)pentanoyl]amino]-4-methylsulfanylbutanoic acid
(1R,2R,5R,8R,9S,10R,11S)-11-methyl-16-oxospiro[15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-6,2-oxirane]-9-carboxylic acid
(2R,5R,6R,8R,9S,10R,11S)-11-methyl-16-oxospiro[15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-6,2-oxirane]-9-carboxylic acid
[3-carboxy-2-[(E)-7-carboxy-6-hydroxyhept-2-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-7-carboxy-6-hydroxyhept-3-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-7-carboxy-7-hydroxyhept-3-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-7-carboxy-7-hydroxyhept-4-enoyl]oxypropyl]-trimethylazanium
[3-carboxy-2-[(E)-7-carboxy-5-hydroxyhept-2-enoyl]oxypropyl]-trimethylazanium
4-(3-Carboxy-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium
CID 12304146
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
9-Fluoro-11beta-hydroxy-16beta-methylandrosta-1,4-diene-3,17-dione
C20H25FO3 (332.17876319999993)
Trp-Ala-Gly
C16H20N4O4 (332.14844800000003)
A tripeptide composed of L-tryptophan, L-alanine, and glycine joined by peptide linkages.
(2Z)-1-(3-amino-1-benzofuran-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
1-[[2-(1-Benzotriazolyl)-1-oxoethyl]amino]-3-cyclohexylthiourea
(3S)-3-cyclopentyl-4-oxo-3-phenyldiazetidine-1,2-dicarboxylic acid dimethyl ester
2-(2-benzoyl-1-pyrrolyl)-N-methyl-N-(phenylmethyl)acetamide
N2-Tert-butyl-6-ethoxy-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
N2-(2-furanylmethyl)-6-(3-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine
3-(5,7-Diphenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-propanol
(2S)-4-amino-2-[[(2S,3R)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoic acid
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoic Acid
C16H20N4O4 (332.14844800000003)
2-[3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium-1-yl]-N-phenylacetamide
(1S,2R,4aR,4bR,7R,9aR,10S,10aR)-2-hydroxy-1-methyl-8-methylidene-13-oxododecahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
N-[(2S,3R,6R)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
N-[(2S,3S,6S)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)oxan-3-yl]cyclopropanecarboxamide
methyl (1R,9S,10S,11S)-12-(cyclopropanecarbonyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
N-[(2R,3R,6S)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
N-[(2S,3S,6R)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
N-[(2S,3R,6S)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
N-[(2R,3S,6R)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
N-[(2R,3S,6S)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
N-[(2R,3R,6R)-6-(2-anilino-2-oxoethyl)-2-(hydroxymethyl)-3-oxanyl]cyclopropanecarboxamide
methyl (1S,9R,10R,11R)-12-(cyclopropanecarbonyl)-10-(hydroxymethyl)-6-oxo-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-diene-11-carboxylate
4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-N-phenylpyrimidin-2-amine
C18H16N6O (332.13855259999997)
N-[(Z)-6-Bicyclo[3.2.0]hept-3-enylideneamino]-4-(phenoxymethyl)benzamide
2-[(Z)-2,4-Hexadiynylidene]-3-isovaleryloxy-1,6-dioxaspiro[4.5]decan-4-ol
Ly93
Ly93 is a selective and orally active sphingomyelin synthase 2 (SMS2) inhibitor, with an IC50 of 91 nM[1].