Exact Mass: 525.2049
Exact Mass Matches: 525.2049
Found 500 metabolites which its exact mass value is equals to given mass value 525.2049
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
9-Hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one
(2S,3S,4R,4aS,6S,11bS)-1,2,3,4,5,6-hexahydro-3,4-dimethoxy-4a,11b-(epiminoethano)-4,6-epoxyphenanthro[2,3-d][1,3]dioxol-2-yl-3,4-dimethoxybenzoate|(6beta,7beta,8beta,10beta)-8,10-epoxy-7,8-dimethoxy-2,3-(methylenedioxy)hasubanan-6-yl-3,4-dimethoxybenzoate|hernsubanine B
2-[2-(3,4-Dimethoxy-phenyl)-ethyl]-6-(4-methoxy-phenyl)-2,3,6,7,12,12a-hexahydro-pyrazino[1,2:1,6]pyrido[3,4-b]indole-1,4-dione
Ala Cys Phe Trp
Ala Cys Trp Phe
Ala Phe Cys Trp
Ala Phe Trp Cys
Ala Ser Trp Tyr
Ala Ser Tyr Trp
Ala Trp Cys Phe
Ala Trp Phe Cys
Ala Trp Ser Tyr
Ala Trp Tyr Ser
Ala Tyr Ser Trp
Ala Tyr Trp Ser
Cys Ala Phe Trp
Cys Ala Trp Phe
Cys Glu Phe Lys
Cys Glu Phe Gln
Cys Glu Lys Phe
Cys Glu Gln Phe
Cys Phe Ala Trp
Cys Phe Glu Lys
Cys Phe Glu Gln
Cys Phe Lys Glu
Cys Phe Gln Glu
Cys Phe Arg Thr
Cys Phe Thr Arg
Cys Phe Trp Ala
Cys Ile Gln Tyr
Cys Ile Tyr Gln
Cys Lys Glu Phe
Cys Lys Phe Glu
Cys Leu Gln Tyr
Cys Leu Tyr Gln
Cys Met Ser Trp
Cys Met Trp Ser
Cys Gln Glu Phe
Cys Gln Phe Glu
Cys Gln Ile Tyr
Cys Gln Leu Tyr
Cys Gln Tyr Ile
Cys Gln Tyr Leu
Cys Arg Phe Thr
Cys Arg Thr Phe
Cys Ser Met Trp
Cys Ser Trp Met
Cys Thr Phe Arg
Cys Thr Arg Phe
Cys Trp Ala Phe
Cys Trp Phe Ala
Cys Trp Met Ser
Cys Trp Ser Met
Cys Tyr Ile Gln
Cys Tyr Leu Gln
Cys Tyr Gln Ile
Cys Tyr Gln Leu
Asp Phe Met Asn
Asp Phe Asn Met
Asp Met Phe Asn
Asp Met Asn Phe
Asp Asn Phe Met
Asp Asn Met Phe
Asp Gln Thr Tyr
Asp Gln Tyr Thr
Asp Thr Gln Tyr
Asp Thr Tyr Gln
Asp Tyr Gln Thr
Asp Tyr Thr Gln
Glu Cys Phe Lys
Glu Cys Phe Gln
Glu Cys Lys Phe
Glu Cys Gln Phe
Glu Phe Cys Lys
Glu Phe Cys Gln
Glu Phe Lys Cys
Glu Phe Gln Cys
Glu Lys Cys Phe
Glu Lys Phe Cys
Glu Asn Thr Tyr
Glu Asn Tyr Thr
Glu Gln Cys Phe
Glu Gln Phe Cys
Glu Gln Ser Tyr
Glu Gln Tyr Ser
Glu Ser Gln Tyr
Glu Ser Tyr Gln
Glu Thr Asn Tyr
Glu Thr Tyr Asn
Glu Tyr Asn Thr
Glu Tyr Gln Ser
Glu Tyr Ser Gln
Glu Tyr Thr Asn
Phe Ala Cys Trp
Phe Ala Trp Cys
Phe Cys Ala Trp
Phe Cys Glu Lys
Phe Cys Glu Gln
Phe Cys Lys Glu
Phe Cys Gln Glu
Phe Cys Arg Thr
Phe Cys Thr Arg
Phe Cys Trp Ala
Phe Asp Met Asn
Phe Asp Asn Met
Phe Glu Cys Lys
Phe Glu Cys Gln
Phe Glu Lys Cys
Phe Glu Gln Cys
Phe Lys Cys Glu
Phe Lys Glu Cys
Phe Met Asp Asn
Phe Met Asn Asp
Phe Met Gln Thr
Phe Met Thr Gln
Phe Asn Asp Met
Phe Asn Met Asp
Phe Gln Cys Glu
Phe Gln Glu Cys
Phe Gln Met Thr
Phe Gln Thr Met
Phe Arg Cys Thr
Phe Arg Thr Cys
Phe Ser Ser Trp
Phe Ser Trp Ser
Phe Thr Cys Arg
Phe Thr Met Gln
Phe Thr Gln Met
Phe Thr Arg Cys
Phe Trp Ala Cys
Phe Trp Cys Ala
Phe Trp Ser Ser
Gly Met Arg Tyr
Gly Met Tyr Arg
Gly Arg Met Tyr
Gly Arg Tyr Met
Gly Thr Trp Tyr
Gly Thr Tyr Trp
Gly Trp Thr Tyr
Gly Trp Tyr Thr
Gly Tyr Met Arg
Gly Tyr Arg Met
Gly Tyr Thr Trp
Gly Tyr Trp Thr
His Asn Gln Gln
His Pro Ser Trp
His Pro Trp Ser
His Gln Asn Gln
His Gln Gln Asn
His Ser Pro Trp
His Ser Trp Pro
His Trp Pro Ser
His Trp Ser Pro
Ile Cys Gln Tyr
Ile Cys Tyr Gln
Ile Gln Cys Tyr
Ile Gln Tyr Cys
Ile Tyr Cys Gln
Ile Tyr Gln Cys
Lys Cys Glu Phe
Lys Cys Phe Glu
Lys Glu Cys Phe
Lys Glu Phe Cys
Lys Phe Cys Glu
Lys Phe Glu Cys
Leu Cys Gln Tyr
Leu Cys Tyr Gln
Leu Gln Cys Tyr
Leu Gln Tyr Cys
Leu Tyr Cys Gln
Leu Tyr Gln Cys
Met Asp Phe Asn
Met Asp Asn Phe
Met Phe Asp Asn
Met Phe Asn Asp
Met Phe Gln Thr
Met Phe Thr Gln
Met Gly Arg Tyr
Met Gly Tyr Arg
Met Met Met Asn
Met Met Asn Met
Met Asn Asp Phe
Met Asn Phe Asp
Met Asn Met Met
Met Asn Val Tyr
Met Asn Tyr Val
Met Gln Phe Thr
Met Gln Thr Phe
Met Arg Gly Tyr
Met Arg Tyr Gly
Met Thr Phe Gln
Met Thr Gln Phe
Met Val Asn Tyr
Met Val Tyr Asn
Met Tyr Gly Arg
Met Tyr Asn Val
Met Tyr Arg Gly
Met Tyr Val Asn
Asn Asp Phe Met
Asn Asp Met Phe
Asn Glu Thr Tyr
Asn Glu Tyr Thr
Asn Phe Asp Met
Asn Phe Met Asp
Asn His Gln Gln
Asn Met Asp Phe
Asn Met Phe Asp
Asn Met Met Met
Asn Met Val Tyr
Asn Met Tyr Val
Asn Gln His Gln
Asn Gln Gln His
Asn Thr Glu Tyr
Asn Thr Tyr Glu
Asn Val Met Tyr
Asn Val Tyr Met
Asn Tyr Glu Thr
Asn Tyr Met Val
Asn Tyr Thr Glu
Asn Tyr Val Met
Pro His Ser Trp
Pro His Trp Ser
Pro Ser His Trp
Pro Ser Trp His
Pro Trp His Ser
Pro Trp Ser His
Gln Cys Glu Phe
Gln Cys Phe Glu
Gln Cys Ile Tyr
Gln Cys Leu Tyr
Gln Cys Tyr Ile
Gln Cys Tyr Leu
Gln Asp Thr Tyr
Gln Asp Tyr Thr
Gln Glu Cys Phe
Gln Glu Phe Cys
Gln Glu Ser Tyr
Gln Glu Tyr Ser
Gln Phe Cys Glu
Gln Phe Glu Cys
Gln Phe Met Thr
Gln Phe Thr Met
Gln His Asn Gln
Gln His Gln Asn
Gln Ile Cys Tyr
Gln Ile Tyr Cys
Gln Leu Cys Tyr
Gln Leu Tyr Cys
Gln Met Phe Thr
Gln Met Thr Phe
Gln Asn His Gln
Gln Asn Gln His
Gln Gln His Asn
Gln Gln Asn His
Gln Ser Glu Tyr
Gln Ser Tyr Glu
Gln Thr Asp Tyr
Gln Thr Phe Met
Gln Thr Met Phe
Gln Thr Tyr Asp
Gln Tyr Cys Ile
Gln Tyr Cys Leu
Gln Tyr Asp Thr
Gln Tyr Glu Ser
Gln Tyr Ile Cys
Gln Tyr Leu Cys
Gln Tyr Ser Glu
Gln Tyr Thr Asp
Arg Cys Phe Thr
Arg Cys Thr Phe
Arg Phe Cys Thr
Arg Phe Thr Cys
Arg Gly Met Tyr
Arg Gly Tyr Met
Arg Met Gly Tyr
Arg Met Tyr Gly
Arg Thr Cys Phe
Arg Thr Phe Cys
Arg Tyr Gly Met
Arg Tyr Met Gly
Ser Ala Trp Tyr
Ser Ala Tyr Trp
Ser Glu Gln Tyr
Ser Glu Tyr Gln
Ser Phe Ser Trp
Ser Phe Trp Ser
Ser His Pro Trp
Ser His Trp Pro
Ser Pro His Trp
Ser Pro Trp His
Ser Gln Glu Tyr
Ser Gln Tyr Glu
Ser Ser Phe Trp
Ser Ser Trp Phe
Ser Trp Ala Tyr
Ser Trp Phe Ser
Ser Trp His Pro
Ser Trp Pro His
Ser Trp Ser Phe
Ser Trp Tyr Ala
Ser Tyr Ala Trp
Ser Tyr Glu Gln
Ser Tyr Gln Glu
Ser Tyr Trp Ala
Thr Cys Phe Arg
Thr Cys Arg Phe
Thr Asp Gln Tyr
Thr Asp Tyr Gln
Thr Glu Asn Tyr
Thr Glu Tyr Asn
Thr Phe Cys Arg
Thr Phe Met Gln
Thr Phe Gln Met
Thr Phe Arg Cys
Thr Gly Trp Tyr
Thr Gly Tyr Trp
Thr Met Phe Gln
Thr Met Gln Phe
Thr Asn Glu Tyr
Thr Asn Tyr Glu
Thr Gln Asp Tyr
Thr Gln Phe Met
Thr Gln Met Phe
Thr Gln Tyr Asp
Thr Arg Cys Phe
Thr Arg Phe Cys
Thr Trp Gly Tyr
Thr Trp Tyr Gly
Thr Tyr Asp Gln
Thr Tyr Glu Asn
Thr Tyr Gly Trp
Thr Tyr Asn Glu
Thr Tyr Gln Asp
Thr Tyr Trp Gly
Val Met Asn Tyr
Val Met Tyr Asn
Val Asn Met Tyr
Val Asn Tyr Met
Val Tyr Met Asn
Val Tyr Asn Met
Trp Ala Cys Phe
Trp Ala Phe Cys
Trp Ala Ser Tyr
Trp Ala Tyr Ser
Trp Cys Ala Phe
Trp Cys Phe Ala
Trp Phe Ala Cys
Trp Phe Cys Ala
Trp Phe Ser Ser
Trp Gly Thr Tyr
Trp Gly Tyr Thr
Trp His Pro Ser
Trp His Ser Pro
Trp Pro His Ser
Trp Pro Ser His
Trp Ser Ala Tyr
Trp Ser Phe Ser
Trp Ser His Pro
Trp Ser Pro His
Trp Ser Ser Phe
Trp Ser Tyr Ala
Trp Thr Gly Tyr
Trp Thr Tyr Gly
Trp Tyr Ala Ser
Trp Tyr Gly Thr
Trp Tyr Ser Ala
Trp Tyr Thr Gly
Tyr Ala Ser Trp
Tyr Ala Trp Ser
Tyr Cys Ile Gln
Tyr Cys Leu Gln
Tyr Cys Gln Ile
Tyr Cys Gln Leu
Tyr Asp Gln Thr
Tyr Asp Thr Gln
Tyr Glu Asn Thr
Tyr Glu Gln Ser
Tyr Glu Ser Gln
Tyr Glu Thr Asn
Tyr Gly Met Arg
Tyr Gly Arg Met
Tyr Gly Thr Trp
Tyr Gly Trp Thr
Tyr Ile Cys Gln
Tyr Ile Gln Cys
Tyr Leu Cys Gln
Tyr Leu Gln Cys
Tyr Met Gly Arg
Tyr Met Asn Val
Tyr Met Arg Gly
Tyr Met Val Asn
Tyr Asn Glu Thr
Tyr Asn Met Val
Tyr Asn Thr Glu
Tyr Asn Val Met
Tyr Gln Cys Ile
Tyr Gln Cys Leu
Tyr Gln Asp Thr
Tyr Gln Glu Ser
Tyr Gln Ile Cys
Tyr Gln Leu Cys
Tyr Gln Ser Glu
Tyr Gln Thr Asp
Tyr Arg Gly Met
Tyr Arg Met Gly
Tyr Ser Ala Trp
Tyr Ser Glu Gln
Tyr Ser Gln Glu
Tyr Ser Trp Ala
Tyr Thr Asp Gln
Tyr Thr Glu Asn
Tyr Thr Gly Trp
Tyr Thr Asn Glu
Tyr Thr Gln Asp
Tyr Thr Trp Gly
Tyr Val Met Asn
Tyr Val Asn Met
Tyr Trp Ala Ser
Tyr Trp Gly Thr
Tyr Trp Ser Ala
Tyr Trp Thr Gly
4-(5-(3,5-DIMETHYLISOXAZOL-4-YL)BENZO[B]THIOPHEN-2-YL)-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)PYRIMIDIN-2-AMINE
4-Methylumbelliferyl 2-Acetamido-2-deoxy-4-O-(a-L-fucopyranosyl)-b-D-glucopyranoside
GlcNAc beta(1-3)GalNAc-alpha-Thr
4-Methylumbelliferyl 2-Acetamido-2-deoxy-3-O-(a-L-fucopyranosyl)-b-D-glucopyranoside
(1R)-2-[[6-[2-[(2,6-Dichlorobenzyl)oxy]ethoxy]hexyl]amino]-1-(2,2-dimethyl-4H-1,3-benzodioxin-6-yl)ethanol
(2S,3S,5S)-5-(tert-Butoxycarbonylamino)-2-(N-5-thiazolylmethoxycarbonyl)amino-1,6-diphenyl-3-hydroxyhexane
Sonolisib
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2152 - Phosphatidylinositide 3-Kinase Inhibitor C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
CID 14392216
D004791 - Enzyme Inhibitors
Deptropine citrate
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists
N-[4-[[5-[3-(2-furanylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]-2-methoxyphenyl]methoxy]-3,5-dimethylphenyl]acetamide
1-(3-{5-[4-(Aminomethyl)phenyl]-1h-Pyrrolo[2,3-B]pyridin-3-Yl}phenyl)-3-(2-Phenoxyphenyl)urea
1-Deoxy-5-O-Phosphono-1-(3,3,4,5-Tetramethyl-9,11-Dioxo-2,3,8,9,10,11-Hexahydro-7h-Quinolino[1,8-Fg]pteridin-12-Ium-7-Yl)-D-Ribitol
[(6Z)-6-[[bis(prop-2-enyl)amino]methylidene]-5-hydroxy-9-(methoxymethyl)-9a,11a-dimethyl-1,4,7-trioxo-2,3,3a,9,10,11-hexahydroindeno[4,5-h]isochromen-10-yl] acetate
(12aS)-2-(3,4-dimethoxyphenethyl)-6-(4-methoxyphenyl)-2,3,12,12a-tetrahydropyrazino[1,2:1,6]pyrido[3,4-b]indole-1,4(6H,7H)-dione
(2S)-2-[(4S,5S)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5R)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5S)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4R,5S)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5R)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2R)-2-[(4S,5R)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4R,5S)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
(2S)-2-[(4S,5R)-8-(3-methoxyphenyl)-4-methyl-5-[[methyl(pyridin-4-ylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
9-Hydroxy-9-methoxycarbonyl-8-methyl-14-n-propoxy-2,3,9,10-tetrahydro-8,11-epoxy-1H,8H,11H-2,7b,11a-triazadibenzo(a,g)cycloocta(cde)trinden-1-one
D004791 - Enzyme Inhibitors
(S)-JDQ-443
(S)-JDQ-443 is an isomer of JDQ-443 (HY-139612). JDQ-443 is an orally active, potent, selective, and covalent KRAS G12C inhibitor (extracted from patent WO2021120890A1). JDQ-443 shows antitumor activity[1][2].
BAY 87-2243
BAY 87-2243 is a highly potent and selective hypoxia-inducible factor-1 (HIF-1) inhibitor.
Opnurasib
Opnurasib (JDQ-443) (NVP-JDQ443) is an orally active, potent, selective, and covalent KRAS G12C inhibitor (extracted from patent WO2021120890A1). Opnurasib shows antitumor activity[1][2].
2-[4-(acetyloxy)-8-(benzoyloxy)-1-(cyanomethyl)-6-ethenyl-4a-hydroxy-1,6-dimethyl-5-oxo-hexahydronaphthalen-2-yl]-2-methylpropanoic acid
(1s,5z,7r,9s,11e,13s,14s,16r,17s,18r,19s)-7,21-dihydroxy-19-[(4-methoxyphenyl)methyl]-7,9,16,17-tetramethyl-2,4,15-trioxa-20-azatetracyclo[11.8.0.0¹,¹⁸.0¹⁴,¹⁶]henicosa-5,11,20-triene-3,8-dione
1-[3-(3-{[1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]carbamoyl}-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
2-({[(2s,4s,5r)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy}[(2s,3s,5r)-3-hydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl)-1,4-dimethyl-3-oxo-2,7-dihydro-1,4-diazepine-5-carboxylic acid
(2s)-1-{[(3r,3as,4s,9as,9bs)-9-(hydroxymethyl)-4-{[2-(4-hydroxyphenyl)acetyl]oxy}-6-methyl-2,7-dioxo-3h,3ah,4h,5h,9ah,9bh-azuleno[4,5-b]furan-3-yl]methyl}pyrrolidine-2-carboxylic acid
(13s)-9,18-dihydroxy-9-epi-10-epi-ryanodine
{"Ingredient_id": "HBIN001302","Ingredient_name": "(13s)-9,18-dihydroxy-9-epi-10-epi-ryanodine","Alias": "NA","Ingredient_formula": "C25H35NO11","Ingredient_Smile": "CC(CO)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(C5O)(C)O)O)O4)O)C)O)C)O)OC(=O)C6=CC=CN6)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5868","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
9,20-dihydroxy-9-epi-10-epi-ryanodine
{"Ingredient_id": "HBIN014018","Ingredient_name": "9,20-dihydroxy-9-epi-10-epi-ryanodine","Alias": "NA","Ingredient_formula": "C25H35NO11","Ingredient_Smile": "CC(C)C1(C(C2(C3(CC4(C1(C2(C5(C3(CCC(C5O)(C)O)O)O4)O)C)O)CO)O)OC(=O)C6=CC=CN6)O","Ingredient_weight": "525.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5869","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "101131113","DrugBank_id": "NA"}