Exact Mass: 518.2251
Exact Mass Matches: 518.2251
Found 258 metabolites which its exact mass value is equals to given mass value 518.2251
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
NPC
NPC is a metabolite of irinotecan. Irinotecan is a drug used for the treatment of cancer. Irinotecan prevents DNA from unwinding by inhibition of topoisomerase 1. In chemical terms, it is a semisynthetic analogue of the natural alkaloid camptothecin. Its main use is in colon cancer, in particular, in combination with other chemotherapy agents. This includes the regimen FOLFIRI, which consists of infusional 5-fluorouracil, leucovorin, and irinotecan. Irinotecan received accelerated approval by the U.S. (Wikipedia) Irinotecan is subjected to be shunted between CYP3A4 mediated oxidative metabolism to form two inactive metabolites APC or NPC and tissue carboxylesterase mediated hydrolysis to form SN-38 which is eventually detoxified via glucuronidation by UGT1A1 to form SN-38G. (PMID: 12570720) The active metabolite of irinotecan (CPT-11), 7-ethyl-10-hydroxycamptothecin (SN-38), is either formed through enzymatic cleavage of CPT-11 by carboxyl esterases (CEs) or through cytochrome P-450 3A-mediated oxidation to 7-ethyl-10-[4-(1-piperidino)-1-amino] carbonyloxycamptothecin (NPC) and a subsequent conversion by CE. (PMID: 10999728)
Lurtotecan
3-[2-[(2R)-2-Phenyl-4-[(4-pyridin-4-ylphenyl)methyl]morpholin-2-yl]ethyl]-1H-quinazoline-2,4-dione
4beta,15-dihydro-8beta-5(5-acetoxytigloyl)-4-hydroxytigloyloxyzaluzanin C|4beta,15-dihydro-8beta-5<5-acetoxytigloyl>-4-hydroxytigloyloxyzaluzanin C
4beta,15-dihydro-3beta-acetoxy-8beta-5(5-hydroxytigloyl)-4-hydroxytigloyloxyzaluzanin C|4beta,15-dihydro-3beta-acetoxy-8beta-5<5-hydroxytigloyl>-4-hydroxytigloyloxyzaluzanin C
(3S,6R,7R,8R)-3-Hydroxy-8-<5-(5-acetoxy-4-hydroxytiglyloxy)-tiglyloxy>-helianga-1(10),5,11(13)-trien-6,12-olide|(3S,6R,7R,8R)-3-Hydroxy-8-[5-(5-acetoxy-4-hydroxytiglyloxy)-tiglyloxy]-helianga-1(10),5,11(13)-trien-6,12-olide
1,3,4,8-Tetrahydroxy-5,6-dihydro-5-(1-methylethenyl)-9,11-bis(3-methyl-2-butenyl)-10-methoxy-7H-benzo[c]xanthene-7-one
(-)-(3S)-1,9-bis(p-hydroxyphenyl)-3-hydroxynonan-5,6-dione 3-O-b-beta-glucoside|alpha-ericadione 3-O-beta-D-glucoside
myricanone 5-O-beta-D-glucopyranoside|myricanone-5-O-beta-D-glucopyranoside
(2S,3S)-2-(5-methoxy-3,4-methylenedioxybenzyl)-3-(3,4,5-trimethoxybenzyl)butane-1,4-diol diacetate
(1R,3S,6R,7R,8R,10R)-3-Hydroxy-8-<5-(5-acetoxytiglyloxy)-4-hydroxytiglyloxy>-cadina-4,11(13)-dien-6,12-olide|(1R,3S,6R,7R,8R,10R)-3-Hydroxy-8-[5-(5-acetoxytiglyloxy)-4-hydroxytiglyloxy]-cadina-4,11(13)-dien-6,12-olide
3beta-hydroxy-8beta-4-hydroxy-5-(4-acetoxytigloyloxy)-tigloyloxycostunolide
C27H35ClN2O6_6-{7-Acetoxy-5-chloro-3-[(1E,3E)-3,5-dimethyl-1,3-heptadien-1-yl]-7-methyl-6,8-dioxo-7,8-dihydro-2(6H)-isoquinolinyl}norleucine
Ala Gly Trp Trp
Ala Trp Gly Trp
Ala Trp Trp Gly
Cys Phe His Ile
Cys Phe His Leu
Cys Phe Ile His
Cys Phe Leu His
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Cys Ile Phe His
Cys Ile His Phe
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Cys Leu His Phe
Asp Glu Lys Gln
Asp Glu Gln Lys
Asp Lys Glu Gln
Asp Lys Gln Glu
Asp Gln Glu Lys
Asp Gln Lys Glu
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Glu Asp Gln Lys
Glu Glu Glu Ile
Glu Glu Glu Leu
Glu Glu Ile Glu
Glu Glu Lys Asn
Glu Glu Leu Glu
Glu Glu Asn Lys
Glu His His Pro
Glu His Pro His
Glu Ile Glu Glu
Glu Lys Asp Gln
Glu Lys Glu Asn
Glu Lys Asn Glu
Glu Lys Gln Asp
Glu Leu Glu Glu
Glu Asn Glu Lys
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Glu Pro His His
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Glu Gln Lys Asp
Phe Cys His Ile
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Phe Cys Ile His
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Phe Ile His Cys
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Phe Leu His Cys
Gly Ala Trp Trp
Gly Trp Ala Trp
Gly Trp Trp Ala
His Cys Phe Ile
His Cys Phe Leu
His Cys Ile Phe
His Cys Leu Phe
His Glu His Pro
His Glu Pro His
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His Phe Ile Cys
His Phe Leu Cys
His His Glu Pro
His His Pro Glu
His Ile Cys Phe
His Ile Phe Cys
His Leu Cys Phe
His Leu Phe Cys
His Pro Glu His
His Pro His Glu
Ile Cys Phe His
Ile Cys His Phe
Ile Glu Glu Glu
Ile Phe Cys His
Ile Phe His Cys
Ile His Cys Phe
Ile His Phe Cys
Lys Asp Glu Gln
Lys Asp Gln Glu
Lys Glu Asp Gln
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Lys Glu Asn Glu
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Lys Asn Glu Glu
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Leu Cys Phe His
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Leu Phe Cys His
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Trp Ala Gly Trp
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Trp Trp Gly Ala
(5Z,7E)-A-nor-(1,2)-(9,10)-diseco-5,7,10(19)-cholestatriene-1,3,25-triol
26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-16,17,23,23,24,24-hexadehydrovitamin D3
Lurtotecan
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D000970 - Antineoplastic Agents
Polifeprosan
D001697 - Biomedical and Dental Materials > D001672 - Biocompatible Materials
4-[(4-aminophenyl)methyl]aniline,2-(chloromethyl)oxirane,4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Quinidine galacturonate
D000074385 - Food Ingredients > D005503 - Food Additives > D010368 - Pectins
7-Ethyl-10-(4-amino-1-piperidino)carbonyloxycamptothecin
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((R)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
A natural product found in Coscinoderma species.
sodium(E)-((1R,4aS,4bS,8aS,10aS)-1-(2-((S)-5-methoxy-2-oxo-2,5-dihydrofuran-3-yl)ethyl)-4b,8,8,10a-tetramethyldecahydrophenanthren-2(1H,3H,4bH)-ylidene)methyl sulfate
A natural product found in Coscinoderma species.
4-[(4S,5R)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
4-[(4R,5S)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
4-[(4S,5R)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
4-[(4R,5S)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
4-[(4R,5R)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
4-[(4R,5R)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
4-[(4S,5S)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
4-[(4S,5S)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)carbamoylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(pyridin-2-ylmethyl)acetamide
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(pyridin-4-ylmethyl)acetamide
2-[(3R,6aR,8S,10aR)-1-[(4-fluorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(4-phenylphenyl)acetamide
[1-[(2-acetyloxy-3-hydroxypropoxy)-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
[1-acetyloxy-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoate
10,15,28-trihydroxy-10,16-dimethyl-2,5,13,18,25-pentaoxaheptacyclo[22.3.1.1¹¹,¹⁵.1¹⁴,¹⁷.0¹,³.0⁷,¹².0⁷,¹⁶]triaconta-20,23-diene-4,19-dione
3-hydroxy-16,17-dimethoxy-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1²,⁶]nonadeca-1(17),2(19),3,5,14(18),15-hexaen-9-one
5,7,14-trihydroxy-13-methoxy-4,6,15-tris(3-methylbut-2-en-1-yl)-2,17-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁶]heptadeca-1(10),3,5,7,11(16),12,14-heptaen-9-one
methyl 2-[6-(furan-3-yl)-15,16-dihydroxy-7,11,13,13-tetramethyl-4,14-dioxo-5,17-dioxapentacyclo[13.2.1.0¹,¹⁰.0²,⁷.0¹¹,¹⁶]octadecan-12-yl]-2-hydroxyacetate
(3ar,4r,6r,6ar,8s,10ar)-8-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,6h,6ah,7h,8h-naphtho[4a,4-b]furan-4-yl (2e)-2-({[(2e)-2-[(acetyloxy)methyl]but-2-enoyl]oxy}methyl)-4-hydroxybut-2-enoate
(2e)-3-{[(3ar,4r,9r,11as)-9-(acetyloxy)-6,10-dimethyl-3-methylidene-2-oxo-3ah,4h,5h,8h,9h,11ah-cyclodeca[b]furan-4-yl]oxy}-2-(2-hydroxyethylidene)-3-oxopropyl (2e)-4-hydroxy-2-methylbut-2-enoate
(2s,3s)-4-(acetyloxy)-3-[(7-methoxy-2h-1,3-benzodioxol-5-yl)methyl]-2-[(3,4,5-trimethoxyphenyl)methyl]butyl acetate
methyl 2-[(1r,2r,4s,7r,8s,11r,12r,13r,16r)-7-[(5r)-5-hydroxy-2-oxo-5h-furan-3-yl]-1,8,12,15,15-pentamethyl-5,18-dioxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-13-yl]acetate
(2s,3s)-2-(5-methoxy-3,4-methylenedioxy-benzyl)-3-(3,4,5-trimethoxybenzyl)butane-1,4-diol diacetate
{"Ingredient_id": "HBIN006698","Ingredient_name": "(2s,3s)-2-(5-methoxy-3,4-methylenedioxy-benzyl)-3-(3,4,5-trimethoxybenzyl)butane-1,4-diol diacetate","Alias": "NA","Ingredient_formula": "C27H34O10","Ingredient_Smile": "CC(=O)OCC(CC1=CC2=C(C(=C1)OC)OCO2)C(CC3=CC(=C(C(=C3)OC)OC)OC)COC(=O)C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14004","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}