Exact Mass: 1111.643
Exact Mass Matches: 1111.643
Found 13 metabolites which its exact mass value is equals to given mass value 1111.643,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Didemnin B
Didemnin B
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C259 - Antineoplastic Antibiotic A natural product found particularly in Lyngbya majuscula and Trididemnum solidum. D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents C308 - Immunotherapeutic Agent > C574 - Immunosuppressant C784 - Protein Synthesis Inhibitor D000970 - Antineoplastic Agents Didemnin B is a depsipeptide extracted from the marine tunicate Trididemnin cyanophorum. Didemnin B can be used for the research of cancer[1].
Didemnin
N-[10-(Butan-2-yl)-8,11,18-trihydroxy-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-15-(propan-2-yl)-1H,2H,3H,4H,6H,7H,10H,11H,12H,13H,15H,16H,17H,20H,21H,23H,24H,25H,25ah-pyrrolo[2,1-F]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[1-(2-hydroxypropanoyl)pyrrolidin-2-yl]-N-methylformamido}-4-methylpentanimidate
D007155 - Immunologic Factors > D007166 - Immunosuppressive Agents D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents
(2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide
(2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-1-[(2S)-2-hydroxypropanoyl]-N-methylpyrrolidine-2-carboxamide
n-{4-[(2s,5s,8r,11r,14s,17r,20s,23r)-8-benzyl-23-[(2r)-butan-2-yl]-5,14-bis[(2s)-butan-2-yl]-3,6,9,12,15,18,21,24-octahydroxy-20-isopropyl-17-methyl-11-(2-methylpropyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}-7-(methylamino)-5,8-dioxoisoquinoline-4-carboximidic acid
n-{4-[(2s,5s,8r,11r,14s,17r,20s,23r)-8-benzyl-23-[(2r)-butan-2-yl]-5,14-bis[(2s)-butan-2-yl]-3,6,9,12,15,18,21,24-octahydroxy-20-isopropyl-17-methyl-11-(2-methylpropyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}-7-(methylamino)-5,8-dioxoisoquinoline-4-carboximidic acid
(2s)-n-[(6s,7s,10s,11s,15s,17r,20r,25as)-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-10-(sec-butyl)-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2s)-1-(2-hydroxypropanoyl)pyrrolidin-2-yl]-n-methylformamido}-4-methylpentanimidic acid
(2s)-n-[(6s,7s,10s,11s,15s,17r,20r,25as)-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-10-(sec-butyl)-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2s)-1-(2-hydroxypropanoyl)pyrrolidin-2-yl]-n-methylformamido}-4-methylpentanimidic acid
(2s)-n-[(3s,6s,7s,10r,11r,15s,17r,20s,25ar)-10-[(2s)-butan-2-yl]-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2r)-1-[(2s)-2-hydroxypropanoyl]pyrrolidin-2-yl]-n-methylformamido}-4-methylpentanimidic acid
(2s)-n-[(3s,6s,7s,10r,11r,15s,17r,20s,25ar)-10-[(2s)-butan-2-yl]-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2r)-1-[(2s)-2-hydroxypropanoyl]pyrrolidin-2-yl]-n-methylformamido}-4-methylpentanimidic acid
n-{4-[8-benzyl-3,6,9,12,15,18,21,24-octahydroxy-20-isopropyl-17-methyl-11-(2-methylpropyl)-5,14,23-tris(sec-butyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}-7-(methylamino)-5,8-dioxoisoquinoline-4-carboximidic acid
n-{4-[8-benzyl-3,6,9,12,15,18,21,24-octahydroxy-20-isopropyl-17-methyl-11-(2-methylpropyl)-5,14,23-tris(sec-butyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}-7-(methylamino)-5,8-dioxoisoquinoline-4-carboximidic acid
(2r)-n-[(3s,6r,7s,10r,11s,15s,17r,20s,25as)-10-[(2s)-butan-2-yl]-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2s)-1-(2-hydroxypropanoyl)pyrrolidin-2-yl]-n-methylformamido}-4-methylpentanimidic acid
(2r)-n-[(3s,6r,7s,10r,11s,15s,17r,20s,25as)-10-[(2s)-butan-2-yl]-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2s)-1-(2-hydroxypropanoyl)pyrrolidin-2-yl]-n-methylformamido}-4-methylpentanimidic acid
n-{4-[8-benzyl-3,6,9,12,15,18,21,24-octahydroxy-14-isopropyl-17-methyl-11-(2-methylpropyl)-5,20,23-tris(sec-butyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}-7-(methylamino)-5,8-dioxoisoquinoline-4-carboximidic acid
n-{4-[8-benzyl-3,6,9,12,15,18,21,24-octahydroxy-14-isopropyl-17-methyl-11-(2-methylpropyl)-5,20,23-tris(sec-butyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}-7-(methylamino)-5,8-dioxoisoquinoline-4-carboximidic acid
(2r)-n-[(3s,6r,7s,10r,11s,15s,17r,20s,25as)-10-[(2s)-butan-2-yl]-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2s)-1-[(2s)-2-hydroxypropanoyl]pyrrolidin-2-yl]-n-methylformamido}-4-methylpentanimidic acid
(2r)-n-[(3s,6r,7s,10r,11s,15s,17r,20s,25as)-10-[(2s)-butan-2-yl]-8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl]-2-{1-[(2s)-1-[(2s)-2-hydroxypropanoyl]pyrrolidin-2-yl]-n-methylformamido}-4-methylpentanimidic acid
2-{1-[1-(2-hydroxypropanoyl)pyrrolidin-2-yl]-n-methylformamido}-4-methyl-n-{8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-10-(sec-butyl)-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl}pentanimidic acid
2-{1-[1-(2-hydroxypropanoyl)pyrrolidin-2-yl]-n-methylformamido}-4-methyl-n-{8,11,18-trihydroxy-15-isopropyl-3-[(4-methoxyphenyl)methyl]-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,13,16,21-pentaoxo-10-(sec-butyl)-3h,6h,7h,10h,11h,12h,15h,17h,20h,23h,24h,25h,25ah-pyrrolo[2,1-f]1,15-dioxa-4,7,10,20-tetraazacyclotricosan-7-yl}pentanimidic acid
{4,16,22-trihydroxy-3,6,12,21-tetraisopropyl-24-[(4-methoxyphenyl)methyl]-2,8,11,14,20,27-hexamethyl-1,7,10,13,19,25,28-heptaoxo-15-(sec-butyl)-3h,6h,9h,12h,15h,18h,21h,24h,27h,30h,31h,32h,33h,33ah-pyrido[1,2-d]1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclotriacontan-9-yl}acetic acid
{4,16,22-trihydroxy-3,6,12,21-tetraisopropyl-24-[(4-methoxyphenyl)methyl]-2,8,11,14,20,27-hexamethyl-1,7,10,13,19,25,28-heptaoxo-15-(sec-butyl)-3h,6h,9h,12h,15h,18h,21h,24h,27h,30h,31h,32h,33h,33ah-pyrido[1,2-d]1-oxa-4,7,10,13,16,19,22,25,28-nonaazacyclotriacontan-9-yl}acetic acid
n-{4-[(2s,5s,8r,11r,14s,17r,20s,23r)-8-benzyl-23-[(2r)-butan-2-yl]-5,20-bis[(2s)-butan-2-yl]-3,6,9,12,15,18,21,24-octahydroxy-14-isopropyl-17-methyl-11-(2-methylpropyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}-7-(methylamino)-5,8-dioxoisoquinoline-4-carboximidic acid
n-{4-[(2s,5s,8r,11r,14s,17r,20s,23r)-8-benzyl-23-[(2r)-butan-2-yl]-5,20-bis[(2s)-butan-2-yl]-3,6,9,12,15,18,21,24-octahydroxy-14-isopropyl-17-methyl-11-(2-methylpropyl)-1,4,7,10,13,16,19,22-octaazacyclotetracosa-1(24),3,6,9,12,15,18,21-octaen-2-yl]butyl}-7-(methylamino)-5,8-dioxoisoquinoline-4-carboximidic acid
