Exact Mass: 518.2264194
Exact Mass Matches: 518.2264194
Found 196 metabolites which its exact mass value is equals to given mass value 518.2264194
,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
NPC
C28H30N4O6 (518.2165239999999)
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)
Cinnamoside
Isolated from dried bark of Cinnamomum cassia (Chinese cinnamon). Cinnamoside is found in chinese cinnamon and herbs and spices. Cinnamoside is found in chinese cinnamon. Cinnamoside is isolated from dried bark of Cinnamomum cassia (Chinese cinnamon).
6S,9R-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside]
6S,9R-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside] is found in fruits. 6S,9R-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside] is isolated from Japanese medlar (Eriobotrya japonica) leaves.
Vomifoliol 9-[xylosyl-(1->6)-glucoside]
Vomifoliol 9-[xylosyl-(1->6)-glucoside] is found in pomes. Vomifoliol 9-[xylosyl-(1->6)-glucoside] is isolated from apples, Malus sylvestris cv Johnatha Isolated from apples, Malus sylvestris cv Johnathan. Vomifoliol 9-[xylosyl-(1->6)-glucoside] is found in malus (crab apple) and pomes.
Lurtotecan
C28H30N4O6 (518.2165239999999)
3-[2-[(2R)-2-Phenyl-4-[(4-pyridin-4-ylphenyl)methyl]morpholin-2-yl]ethyl]-1H-quinazoline-2,4-dione
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
citroside A 6-O-beta-D-apiofuranoside|pteleifoside C
C24H38O12_3-Buten-2-one, 4-[4-hydroxy-2,2,6-trimethyl-6-[[6-O-[(2S,3R,4R)-tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]-beta-D-glucopyranosyl]oxy]cyclohexylidene]
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
C27H35ClN2O6 (518.2183520000001)
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
Cys His Phe Ile
Cys His Phe Leu
Cys His Ile Phe
Cys His Leu Phe
Cys Ile Phe His
Cys Ile His Phe
Cys Leu Phe His
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
Glu Asp Lys Gln
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
Glu Asn Lys Glu
Glu Pro His His
Glu Gln Asp Lys
Glu Gln Lys Asp
Phe Cys His Ile
Phe Cys His Leu
Phe Cys Ile His
Phe Cys Leu His
Phe His Cys Ile
Phe His Cys Leu
Phe His Ile Cys
Phe His Leu Cys
Phe Ile Cys His
Phe Ile His Cys
Phe Leu Cys His
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
His Phe Cys Ile
His Phe Cys Leu
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
Lys Glu Glu Asn
Lys Glu Asn Glu
Lys Glu Gln Asp
Lys Asn Glu Glu
Lys Gln Asp Glu
Lys Gln Glu Asp
Leu Cys Phe His
Leu Cys His Phe
Leu Glu Glu Glu
Leu Phe Cys His
Leu Phe His Cys
Leu His Cys Phe
Leu His Phe Cys
Asn Glu Glu Lys
Asn Glu Lys Glu
Asn Lys Glu Glu
Pro Glu His His
Pro His Glu His
Pro His His Glu
Gln Asp Glu Lys
Gln Asp Lys Glu
Gln Glu Asp Lys
Gln Glu Lys Asp
Gln Lys Asp Glu
Gln Lys Glu Asp
Trp Ala Gly Trp
Trp Ala Trp Gly
Trp Gly Ala Trp
Trp Gly Trp Ala
Trp Trp Ala Gly
Trp Trp Gly Ala
(5Z,7E)-A-nor-(1,2)-(9,10)-diseco-5,7,10(19)-cholestatriene-1,3,25-triol
6S,9R-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside]
Vomifoliol 9-[xylosyl-(1->6)-glucoside]
Cinnamoside
26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-16,17,23,23,24,24-hexadehydrovitamin D3
Lurtotecan
C28H30N4O6 (518.2165239999999)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C1748 - Topoisomerase Inhibitor D000970 - Antineoplastic Agents
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
C28H30N4O6 (518.2165239999999)
6S,9R-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside]
6S,9R-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside] is found in fruits. 6S,9R-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside] is isolated from Japanese medlar (Eriobotrya japonica) leaves. Constituent of Vitis vinifera cv. Gewürztraminer. 6e,9e-Dihydroxy-4,7E-megastigmadien-3-one 9-[apiosyl-(1->6)-glucoside] is found in alcoholic beverages and fruits.
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$l^{6},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[(4-methoxyanilino)-oxomethyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(2-pyridinylmethyl)acetamide
C28H30N4O6 (518.2165239999999)
4-[(4R,5S)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$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
C28H30N4O6 (518.2165239999999)
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
C28H30N4O6 (518.2165239999999)
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-[(E)-prop-1-enyl]phenyl]-N-(pyridin-2-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
C29H34N4O3S (518.2351494000001)
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
C28H30N4O6 (518.2165239999999)
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
C28H30N4O6 (518.2165239999999)
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
C28H30N4O6 (518.2165239999999)
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
C28H30N4O6 (518.2165239999999)
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
C28H30N4O6 (518.2165239999999)
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
C28H30N4O6 (518.2165239999999)
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
C28H30N4O6 (518.2165239999999)
(3S)-2-[(S)-tert-butylsulfinyl]-3-(2-hydroxyethyl)-4-[3-[(E)-prop-1-enyl]phenyl]-N-(pyridin-4-ylmethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
C29H34N4O3S (518.2351494000001)
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
C30H31FN2O5 (518.2216887999999)