Exact Mass: 525.1715666
Exact Mass Matches: 525.1715666
Found 258 metabolites which its exact mass value is equals to given mass value 525.1715666
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
N-(1-Cyanocyclopropyl)-4-fluoro-4-methyl-2-[[2,2,2-trifluoro-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]amino]pentanamide
O-Demethyl apixaban sulfate
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
Asn Asp Tyr Asp
C21H27N5O11 (525.1706992000001)
(glutathion-S-yl)-4-methoxy-3-indolylmethylisothiocyanate
AVE3247
C25H24ClN5O4S (525.1237454000001)
CONFIDENCE standard compound; INTERNAL_ID 601; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4119; ORIGINAL_PRECURSOR_SCAN_NO 4117 CONFIDENCE standard compound; INTERNAL_ID 601; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4131; ORIGINAL_PRECURSOR_SCAN_NO 4129 CONFIDENCE standard compound; INTERNAL_ID 601; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4097; ORIGINAL_PRECURSOR_SCAN_NO 4095 CONFIDENCE standard compound; INTERNAL_ID 601; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4123; ORIGINAL_PRECURSOR_SCAN_NO 4120 CONFIDENCE standard compound; INTERNAL_ID 601; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4111; ORIGINAL_PRECURSOR_SCAN_NO 4110 CONFIDENCE standard compound; INTERNAL_ID 601; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4113; ORIGINAL_PRECURSOR_SCAN_NO 4110 CONFIDENCE standard compound; INTERNAL_ID 601; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8282; ORIGINAL_PRECURSOR_SCAN_NO 8277 CONFIDENCE standard compound; INTERNAL_ID 601; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8287; ORIGINAL_PRECURSOR_SCAN_NO 8282 CONFIDENCE standard compound; INTERNAL_ID 601; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8298; ORIGINAL_PRECURSOR_SCAN_NO 8293 CONFIDENCE standard compound; INTERNAL_ID 601; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8344; ORIGINAL_PRECURSOR_SCAN_NO 8340 CONFIDENCE standard compound; INTERNAL_ID 601; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8344; ORIGINAL_PRECURSOR_SCAN_NO 8342 CONFIDENCE standard compound; INTERNAL_ID 601; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8341; ORIGINAL_PRECURSOR_SCAN_NO 8338
Ala Cys Phe Trp
Ala Cys Trp Phe
Ala Phe Cys Trp
Ala Phe Trp Cys
Ala Trp Cys Phe
Ala Trp Phe Cys
Cys Ala Phe Trp
Cys Ala Trp Phe
Cys Cys Asp Trp
Cys Cys Trp Asp
Cys Asp Cys Trp
Cys Asp Trp Cys
Cys Glu Phe Gln
Cys Glu Gln Phe
Cys Phe Ala Trp
Cys Phe Glu Gln
Cys Phe Gln Glu
Cys Phe Trp Ala
Cys Met Ser Trp
Cys Met Trp Ser
Cys Gln Glu Phe
Cys Gln Phe Glu
Cys Ser Met Trp
Cys Ser Trp Met
Cys Trp Ala Phe
Cys Trp Cys Asp
Cys Trp Asp Cys
Cys Trp Phe Ala
Cys Trp Met Ser
Cys Trp Ser Met
Asp Cys Cys Trp
Asp Cys Trp Cys
Asp Asp Asn Tyr
C21H27N5O11 (525.1706992000001)
Asp Asp Tyr Asn
C21H27N5O11 (525.1706992000001)
Asp Phe Met Asn
Asp Phe Asn Met
Asp Met Phe Asn
Asp Met Asn Phe
Asp Asn Asp Tyr
C21H27N5O11 (525.1706992000001)
Asp Asn Phe Met
Asp Asn Met Phe
Asp Asn Tyr Asp
C21H27N5O11 (525.1706992000001)
Asp Gln Thr Tyr
Asp Gln Tyr Thr
Asp Thr Gln Tyr
Asp Thr Tyr Gln
Asp Trp Cys Cys
Asp Tyr Asp Asn
C21H27N5O11 (525.1706992000001)
Asp Tyr Asn Asp
C21H27N5O11 (525.1706992000001)
Asp Tyr Gln Thr
Asp Tyr Thr Gln
Glu Cys Phe Gln
Glu Cys Gln Phe
Glu Phe Cys Gln
Glu Phe Gln 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 Gln
Phe Cys Gln Glu
Phe Cys Trp Ala
Phe Asp Met Asn
Phe Asp Asn Met
Phe Glu Cys Gln
Phe Glu Gln Cys
Phe Met Asp Asn
Phe Met Asn Asp
Phe Asn Asp Met
Phe Asn Met Asp
Phe Gln Cys Glu
Phe Gln Glu Cys
Phe Trp Ala Cys
Phe Trp Cys Ala
Met Cys Ser Trp
Met Cys Trp Ser
Met Asp Phe Asn
Met Asp Asn Phe
Met Phe Asp Asn
Met Phe Asn Asp
Met Met Met Asn
Met Met Asn Met
Met Asn Asp Phe
Met Asn Phe Asp
Met Asn Met Met
Met Ser Cys Trp
Met Ser Trp Cys
Met Trp Cys Ser
Met Trp Ser Cys
Asn Asp Asp Tyr
C21H27N5O11 (525.1706992000001)
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 Met Asp Phe
Asn Met Phe Asp
Asn Met Met Met
Asn Thr Glu Tyr
Asn Thr Tyr Glu
Asn Tyr Asp Asp
C21H27N5O11 (525.1706992000001)
Asn Tyr Glu Thr
Asn Tyr Thr Glu
Gln Cys Glu Phe
Gln Cys Phe Glu
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 Ser Glu Tyr
Gln Ser Tyr Glu
Gln Thr Asp Tyr
Gln Thr Tyr Asp
Gln Tyr Asp Thr
Gln Tyr Glu Ser
Gln Tyr Ser Glu
Gln Tyr Thr Asp
Ser Cys Met Trp
Ser Cys Trp Met
Ser Glu Gln Tyr
Ser Glu Tyr Gln
Ser Met Cys Trp
Ser Met Trp Cys
Ser Gln Glu Tyr
Ser Gln Tyr Glu
Ser Trp Cys Met
Ser Trp Met Cys
Ser Tyr Glu Gln
Ser Tyr Gln Glu
Thr Asp Gln Tyr
Thr Asp Tyr Gln
Thr Glu Asn Tyr
Thr Glu Tyr Asn
Thr Asn Glu Tyr
Thr Asn Tyr Glu
Thr Gln Asp Tyr
Thr Gln Tyr Asp
Thr Tyr Asp Gln
Thr Tyr Glu Asn
Thr Tyr Asn Glu
Thr Tyr Gln Asp
Trp Ala Cys Phe
Trp Ala Phe Cys
Trp Cys Ala Phe
Trp Cys Cys Asp
Trp Cys Asp Cys
Trp Cys Phe Ala
Trp Cys Met Ser
Trp Cys Ser Met
Trp Asp Cys Cys
Trp Phe Ala Cys
Trp Phe Cys Ala
Trp Met Cys Ser
Trp Met Ser Cys
Trp Ser Cys Met
Trp Ser Met Cys
Tyr Asp Asp Asn
C21H27N5O11 (525.1706992000001)
Tyr Asp Asn Asp
C21H27N5O11 (525.1706992000001)
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 Asn Asp Asp
C21H27N5O11 (525.1706992000001)
Tyr Asn Glu Thr
Tyr Asn Thr Glu
Tyr Gln Asp Thr
Tyr Gln Glu Ser
Tyr Gln Ser Glu
Tyr Gln Thr Asp
Tyr Ser Glu Gln
Tyr Ser Gln Glu
Tyr Thr Asp Gln
Tyr Thr Glu Asn
Tyr Thr Asn Glu
Tyr Thr Gln Asp
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
3-O-Methylfluorescein phosphate cyclohexylammonium salt
4-tert-Butyl-N-(6-chloro-5-(2-methoxyphenoxy)-2,2-bipyrimidin-4-yl)benzenesulfonamide
C25H24ClN5O4S (525.1237454000001)
odanacatib
C78281 - Agent Affecting Musculoskeletal System > C67439 - Bone Resorption Inhibitor C471 - Enzyme Inhibitor > C783 - Protease Inhibitor
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
CID 14392216
D004791 - Enzyme Inhibitors
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
1-{[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl}-2-[(1-cyclopropylpiperidin-4-yl)carbamoyl]-1H-benzimidazole-5-carboxylic acid
C25H24ClN5O4S (525.1237454000001)
(4S,5E,6R)-4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-ethylidene-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(4-methoxy-1H-indol-3-yl)methylcarbamothioylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
2-[[(3,4-Dimethoxyphenyl)-oxomethyl]amino]acetic acid [2-[5-(4-chlorophenyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] ester
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
C29H28ClN7O (525.2043748000001)
(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
C26H26F3N7O2 (525.2099972000001)
BAY 87-2243 is a highly potent and selective hypoxia-inducible factor-1 (HIF-1) inhibitor.
BMS-963272
C24H21F6N5O2 (525.1599358000001)
BMS-963272 is a potent, selective MGAT2 inhibitor (IC50 = 7.1 nM) for the research of metabolic disorders.
Opnurasib
C29H28ClN7O (525.2043748000001)
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].
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
C25H27N5O8 (525.1859542000001)
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"}
(2'r,3'r,4r,4's)-4'-hydroxy-2''-imino-2'-(1h-indol-3-yl)-1,1'',3,3''-tetramethyl-4',9'-dihydro-2'h-dispiro[imidazolidine-4,1'-carbazole-3',4''-imidazolidine]-2,5,5''-trione
10-chloro-19-hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.0¹,²⁰.0⁴,¹⁹.0⁵,¹⁶.0⁶,¹⁴.0⁸,¹³]heptacosa-6(14),8,10,12,20-pentaen-24-yl acetate
2-({[5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy}[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
n-[(2s,3r,4r,6r)-16-hydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl]-n-methylcarbamimidothioic acid
2-(5-hydroxy-1,4-dioxo-1-{[4-(5-oxo-2h-furan-2-yl)butan-2-yl]oxy}hexan-2-yl)-2-(1h-indol-3-ylmethyl)-5-methyl-4-oxo-3h-imidazol-1-ium-1-olate
3-hydroxy-4,7,8-tris(1h-indol-3-yl)-1-oxaspiro[4.4]nona-3,7-diene-2,6,9-trione
(2r)-2-[(2s,5s)-5-hydroxy-1,4-dioxo-1-{[(2s)-4-[(2r)-5-oxo-2h-furan-2-yl]butan-2-yl]oxy}hexan-2-yl]-2-(1h-indol-3-ylmethyl)-5-methyl-4-oxo-3h-imidazol-1-ium-1-olate
n-{16-hydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1²,⁶.0⁷,²⁸.0⁸,¹³.0¹⁵,¹⁹.0²⁰,²⁷.0²¹,²⁶]nonacosa-8(13),9,11,14(28),15(19),16,20(27),21(26),22,24-decaen-4-yl}-n-methylcarbamimidothioic acid
1-{[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
(2r)-2-[(3r,6r,9e,11s,14r)-11-hydroxy-6,14-dimethyl-2,5,8-trioxo-1,7-dioxacyclotetradec-9-en-3-yl]-2-(1h-indol-3-ylmethyl)-5-methyl-4-oxo-3h-imidazol-1-ium-1-olate
(2s)-1-[3-(3-{[(1s)-1-carboxy-3-(c-hydroxycarbonimidoyl)propyl]carbamoyl}-6-hydroxy-9h-pyrido[3,4-b]indol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
C25H27N5O8 (525.1859542000001)