Exact Mass: 829.3601

Exact Mass Matches: 829.3601

Found 21 metabolites which its exact mass value is equals to given mass value 829.3601, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Cephabacin

Cephabacin F3; Cephabacin

C32H51N11O13S (829.3388)

(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.).

2-({[(1r,4r,5s)-2-{[(2s,3s,4r,5s)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy}-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]oxy(hydroxy)phosphoryl}[hydroxy([methyl(12-methyltridecyl)amino]oxy)phosphoryl]amino)ethanimidic acid

2-({[(1r,4r,5s)-2-{[(2s,3s,4r,5s)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy}-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]oxy(hydroxy)phosphoryl}[hydroxy([methyl(12-methyltridecyl)amino]oxy)phosphoryl]amino)ethanimidic acid

C32H57N5O16P2 (829.3275)

2-{[(2-{[3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy}-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)oxy(hydroxy)phosphoryl][hydroxy([methyl(12-methyltridecyl)amino]oxy)phosphoryl]amino}ethanimidic acid

2-{[(2-{[3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy}-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)oxy(hydroxy)phosphoryl][hydroxy([methyl(12-methyltridecyl)amino]oxy)phosphoryl]amino}ethanimidic acid

C32H57N5O16P2 (829.3275)

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)

2-{[(2-{[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy}-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)oxy(hydroxy)phosphoryl][hydroxy([methyl(12-methyltridecyl)amino]oxy)phosphoryl]amino}ethanimidic acid

2-{[(2-{[(2r,3s,4r,5r)-3,4-dihydroxy-5-(4-hydroxy-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy}-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl)oxy(hydroxy)phosphoryl][hydroxy([methyl(12-methyltridecyl)amino]oxy)phosphoryl]amino}ethanimidic acid

C32H57N5O16P2 (829.3275)

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)