Exact Mass: 518.1941
Exact Mass Matches: 518.1941
Found 159 metabolites which its exact mass value is equals to given mass value 518.1941
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
(-)-Gossypol
Gossypol has been used in trials studying the treatment of Non-small Cell Lung Cancer. (-)-Gossypol or (R)-Gossypol, is the R-isomer of [Gossypol]. Gossypol is a natural product found in Malva pseudolavatera, Hibiscus syriacus, and other organisms with data available. Gossypol is an orally-active polyphenolic aldehyde with potential antineoplastic activity. Derived primarily from unrefined cottonseed oil, gossypol induces cell cycle arrest at the G0/G1 phase, thereby inhibiting DNA replication and inducing apoptosis. This agent also inhibits cell-signaling enzymes, resulting in inhibition of cell growth, and may act as a male contraceptive. (-)-Gossypol is found in fats and oils. (-)-Gossypol is a constituent of Gossypium hirsutum (cotton).(-)-gossypol has been shown to exhibit anti-tumor, anti-cancer and anti-proliferative functions (A7832, A7833, A7834). A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer. Gossypol, also known as gossypol, (+)-isomer or (-)-gossypol, is a member of the class of compounds known as sesquiterpenoids. Sesquiterpenoids are terpenes with three consecutive isoprene units. Thus, gossypol is considered to be an isoprenoid lipid molecule. Gossypol is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Gossypol can be found in cottonseed, okra, soy bean, and sunflower, which makes gossypol a potential biomarker for the consumption of these food products. Gossypol is a non-carcinogenic (not listed by IARC) potentially toxic compound. Among other things, it has been tested as a male oral contraceptive in China. In addition to its putative contraceptive properties, gossypol has also long been known to possess antimalarial properties. Other researchers are investigating the anticancer properties of gossypol . Gossypol may cause apoptosis via the regulation of Bax and Bcl-2 proteins. It is also an inhibitor of calcineurin and protein kinases C, and has been shown to bind calmodulin (L1239) (T3DB). C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor (-)-Gossypol is found in fats and oils. (-)-Gossypol is a constituent of Gossypium hirsutum (cotton) D012102 - Reproductive Control Agents > D003270 - Contraceptive Agents C274 - Antineoplastic Agent > C1931 - Antineoplastic Plant Product C1907 - Drug, Natural Product Gossypol binds to Bcl-xL protein and Bcl-2 protein with Kis of 0.5-0.6 μM and 0.2-0.3 mM, respectively. Gossypol binds to Bcl-xL protein and Bcl-2 protein with Kis of 0.5-0.6 μM and 0.2-0.3 mM, respectively.
Ciceritol
Constituent of chick pea seeds (Cicer arietinum), lentil seeds (Lens esculenta) and other plant subspecies in the Leguminosae. Ciceritol is found in soy bean and pulses. Ciceritol is found in pulses. Ciceritol is a constituent of chick pea seeds (Cicer arietinum), lentil seeds (Lens esculenta) and other plant species in the Leguminosae.
Poly-g-D-glutamate
Poly-gamma-D-glutamate or PGA is an intermediate in D-Glutamine and D-glutamate metabolism. It is a polymer of D-glutamate residues. It is produced by bacteria, a number of which are part of the normal human microflora. In particular, Staph. epidermidis secretes poly-gamma-glutamate (PGA) to facilitate growth and ensure its survival inside the human host. PGA protects the pathogen from innate host defenses during infection. S. epidermidis is the only human pathogen known to produce PGA other than Bacillus anthracis, but several differences exist in how the two pathogens use PGA to their advantage. What is shown in the attached diagram is a tetramer of poly-gamma-glutamate. PGA is currently used as an antigen for vaccine production against Anthrax. Poly-gamma-D-glutamate is produced from L-Glutamate via a multi-step reaction. [HMDB] Poly-gamma-D-glutamate or PGA is an intermediate in D-Glutamine and D-glutamate metabolism. It is a polymer of D-glutamate residues. It is produced by bacteria, a number of which are part of the normal human microflora. In particular, Staph. epidermidis secretes poly-gamma-glutamate (PGA) to facilitate growth and ensure its survival inside the human host. PGA protects the pathogen from innate host defenses during infection. S. epidermidis is the only human pathogen known to produce PGA other than Bacillus anthracis, but several differences exist in how the two pathogens use PGA to their advantage. What is shown in the attached diagram is a tetramer of poly-gamma-glutamate. PGA is currently used as an antigen for vaccine production against Anthrax. Poly-gamma-D-glutamate is produced from L-Glutamate via a multi-step reaction.
Ac-Asp-Glu-Val-Asp
2-[[3,5-dihydroxy-6-methoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
5,5-Diisopropyl-7,7-dimethyl-8,8-bi[2H-naphtho[1,8-bc]furan]-2,2,3,3,4,4-hexol
O-alpha-D-galactopyranosyl-(1->6)-O-alpha-D-galactopyranosyl-(1->3)-4-O-methyl-D-myo-inositol
2,6-dimethoxy-4-(3-hydroxy-propen-1-yl)phenyl-alpha-L-rhamnopyranosyl-(1->6)-beta-D-glucopyranoside
2,6-dimethoxy-4-(prop-2-enyl)phenyl O-beta-D-glucopyranosyl-(1?6)-beta-D-glucopyranoside
4-Acetoxy-3-(4-acetoxy-phenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-but-2-enyl)-8H-pyrano[3,2-g]chromen-2-on|4-acetoxy-3-(4-acetoxy-phenyl)-5-methoxy-8,8-dimethyl-10-(3-methyl-but-2-enyl)-8H-pyrano[3,2-g]chromen-2-one|Di-O-acetyl-lonchocarpinsaeure|Di-O-acetyllonchocarpic acid
Glu Asn Gln Glu
Gln Asn Glu Glu
Cys His Pro Tyr
Cys His Tyr Pro
Cys Asn Pro Trp
Cys Asn Trp Pro
Cys Pro His Tyr
Cys Pro Asn Trp
Cys Pro Trp Asn
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Cys Trp Asn Pro
Cys Trp Pro Asn
Cys Tyr His Pro
Cys Tyr Pro His
Asp Glu Gln Gln
Asp Gln Glu Gln
Asp Gln Gln Glu
Glu Asp Gln Gln
Glu Glu Asn Gln
Glu Glu Gln Asn
Glu Asn Glu Gln
Glu Gln Asp Gln
Glu Gln Glu Asn
Glu Gln Asn Glu
Glu Gln Gln Asp
His Cys Pro Tyr
His Cys Tyr Pro
His Met Met Thr
His Met Thr Met
His Pro Cys Tyr
His Pro Tyr Cys
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His Tyr Cys Pro
His Tyr Pro Cys
Met His Met Thr
Met His Thr Met
Met Met His Thr
Met Met Thr His
Met Thr His Met
Met Thr Met His
Asn Cys Pro Trp
Asn Cys Trp Pro
Asn Glu Glu Gln
Asn Glu Gln Glu
Asn Pro Cys Trp
Asn Pro Trp Cys
Asn Gln Glu Glu
Asn Trp Cys Pro
Asn Trp Pro Cys
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Pro His Cys Tyr
Pro His Tyr Cys
Pro Asn Cys Trp
Pro Asn Trp Cys
Pro Trp Cys Asn
Pro Trp Asn Cys
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Pro Tyr His Cys
Gln Asp Glu Gln
Gln Asp Gln Glu
Gln Glu Asp Gln
Gln Glu Glu Asn
Gln Glu Asn Glu
Gln Glu Gln Asp
Gln Gln Asp Glu
Gln Gln Glu Asp
Ser Ser Tyr Tyr
Ser Tyr Ser Tyr
Ser Tyr Tyr Ser
Thr His Met Met
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Trp Cys Asn Pro
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Tyr Tyr Ser Ser
2-[(2-ethoxy-5(4-ethylpiperazine-1-sulphonyl)phenyl)]-7-ethoxycarbonyl-5-methylimidazo[5,1-f][1,2,4]triazin-4(3H)-one
ALPHA1,3ALPHA1,6-MANNOTRIOSE, ALPHA-METHYL GLYCOSIDE
HEXOPRENALINE SULFATE
D019141 - Respiratory System Agents > D018927 - Anti-Asthmatic Agents > D001993 - Bronchodilator Agents C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents D012102 - Reproductive Control Agents > D015149 - Tocolytic Agents
Glu-Asp-Gln-Gln
A tetrapeptide composed of L-glutamic acid, L-aspartic acid and two L-glutamine units joined in sequence by peptide linkages.
2-fluoro-N-[[(4R,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(4S,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(4S,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-[(1R,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
2-[(1S,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
2-fluoro-N-[[(4R,5R)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(4S,5S)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(4S,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(4R,5R)-2-[(2R)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-fluoro-N-[[(4R,5S)-2-[(2S)-1-hydroxypropan-2-yl]-8-(3-methoxyprop-1-ynyl)-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-5-yl]methyl]-N-methylbenzamide
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-cyclohexylacetamide
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
2-[(1S,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
2-[(1S,3R,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
2-[(1R,3S,4aS,9aR)-6-[(4-fluorophenyl)sulfonylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-cyclohexylacetamide
[(3aS,4S,9bS)-8-[2-(2-methoxyphenyl)ethynyl]-1-(4-methoxyphenyl)sulfonyl-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-4-yl]methanol
2-(3,4-Dimethoxyphenyl)-9-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]purine-6-carboxamide
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2S,3S,4S,5R)-2-ethyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]peroxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1-{2,6-dihydroxy-4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}-3-methylbutan-1-one
4-hydroxy-9-{4-hydroxy-3,5,8-trimethyl-2,7-dioxo-4h,4ah,9h,9ah-azuleno[6,5-b]furan-9-yl}-3,5,8-trimethyl-4h,4ah,9h,9ah-azuleno[6,5-b]furan-2,7-dione
methyl (4ar,7as)-7-methylidene-1-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1h,4ah,5h,6h,7ah-cyclopenta[c]pyran-4-carboxylate
4,7'-dihydroxy-3,5',6,15'-tetramethylidene-4,5,6a,7,9a,9b-hexahydro-3ah-3'-oxaspiro[azuleno[4,5-b]furan-9,12'-tetracyclo[7.6.1.0²,⁶.0¹³,¹⁶]hexadecan]-13'(16')-ene-2,4',8,14'-tetrone
3,8-dihydroxy-6-methoxy-2-isopropyl-1,4-naphthoquinone
{"Ingredient_id": "HBIN007830","Ingredient_name": "3,8-dihydroxy-6-methoxy-2-isopropyl-1,4-naphthoquinone","Alias": "NA","Ingredient_formula": "C30H30O8","Ingredient_Smile": "CC1=C(C(=O)C2=CC(=C(C(=C2C1=O)C(C)C)OC)O)C3=C(C(=O)C4=C(C(=C(C=C4C3=O)O)OC)C(C)C)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "33552","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}