Exact Mass: 829.3601

Exact Mass Matches: 829.3601

Found 15 metabolites which its exact mass value is equals to given mass value 829.3601, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

(1R,2R,4S)-4-{[2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-(dimethylazaniumyl)-alpha-L-lyxo-hexopyranosyl]oxy}-2-ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-5-olate

(1R,2R,4S)-4-{[2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1->4)-2,3,6-trideoxy-3-(dimethylazaniumyl)-alpha-L-lyxo-hexopyranosyl]oxy}-2-ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-5-olate

C42H55NO16 (829.3521)

2-deoxy-alpha-L-fucosylaclacinomycin S

C42H55NO16 (829.3521)

An anthracycline that is aklavinone having a 2-deoxy-L-fucosyl-(1->4)-2-deoxy-L-fucosyl-(1->4)-L-rhodosaminyl moiety attached at position 4.

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[(5R)-5,9,10,14-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-azacyclohexadec-4-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[(5R)-5,9,10,14-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-azacyclohexadec-4-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

C37H59N5O12S2 (829.3601)

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[(5R)-5,10,14,15-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-azacyclohexadec-4-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[(5R)-5,10,14,15-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-azacyclohexadec-4-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

C37H59N5O12S2 (829.3601)

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[(5R)-5,10,11,14-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-azacyclohexadec-4-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[(5R)-5,10,11,14-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-azacyclohexadec-4-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

C37H59N5O12S2 (829.3601)

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[4,10,11,14-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-azacyclohexadec-5-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[4,10,11,14-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-azacyclohexadec-5-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

C37H59N5O12S2 (829.3601)

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[4,9,10,14-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-azacyclohexadec-5-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[4,9,10,14-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-azacyclohexadec-5-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

C37H59N5O12S2 (829.3601)

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[4,10,14,15-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-azacyclohexadec-5-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[[4,10,14,15-tetrahydroxy-5,9,11,13,13-pentamethyl-2-[(Z)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-12,16-dioxo-azacyclohexadec-5-yl]sulfanyl]propan-2-yl]amino]-5-oxopentanoic acid

C37H59N5O12S2 (829.3601)

2-deoxy-alpha-L-fucosylaclacinomycin S zwitterion

C42H55NO16 (829.3521)

A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of 2-deoxy-alpha-L-fucosylaclacinomycin S. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

methyl (1r,2r,4s)-4-{[(2r,4r,5s,6r)-4-(dimethylamino)-5-{[(2r,4s,5s,6s)-4-hydroxy-5-{[(2s,5s,6r)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1r,2r,4s)-4-{[(2r,4r,5s,6r)-4-(dimethylamino)-5-{[(2r,4s,5s,6s)-4-hydroxy-5-{[(2s,5s,6r)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C42H55NO16 (829.3521)

methyl 4-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl 4-{[5-({5-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-4-hydroxy-6-methyloxan-2-yl}oxy)-4-(dimethylamino)-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C42H55NO16 (829.3521)

methyl (1r,2r,4s)-4-{[(2r,4s,5s,6s)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-5-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1r,2r,4s)-4-{[(2r,4s,5s,6s)-4-(dimethylamino)-5-{[(2s,4s,5s,6s)-4-hydroxy-5-{[(2s,5s,6s)-5-hydroxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C42H55NO16 (829.3521)