Chemical Formula: C52H91N7O13

Chemical Formula C52H91N7O13

Found 19 metabolite its formula value is C52H91N7O13

   

Surfactin B

Surfactin B

C52H91N7O13 (1021.6674516)


A cyclodepsipeptide that is N-[(3R)-3-hydroxy-12-methyltridecanoyl]-L-alpha-glutamyl-L-leucyl-D-leucyl-L-valyl-L-alpha-aspartyl-D-leucyl-L-leucine in which the C-terminal carboxy group has been lactonised by condensation with the alcoholic hydroxy group. CONFIDENCE isolated standard

   
   

cyclo[Asp-D-Leu-Leu-ObAla(3-undecyl)-Glu-Leu-D-Leu-Val]

cyclo[Asp-D-Leu-Leu-ObAla(3-undecyl)-Glu-Leu-D-Leu-Val]

C52H91N7O13 (1021.6674516)


   

3-[(9s,12s,18s,21r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-25-(8-methylnonyl)-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-12-(sec-butyl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[(9s,12s,18s,21r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-25-(8-methylnonyl)-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-12-(sec-butyl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-18-isopropyl-12-methyl-3,6,15-tris(2-methylpropyl)-25-(11-methyltridecyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-18-isopropyl-12-methyl-3,6,15-tris(2-methylpropyl)-25-(11-methyltridecyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-isopropyl-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-25-undecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-isopropyl-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-25-undecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-25-dodecyl-5,8,11,14,17,20,23-heptahydroxy-12,18-diisopropyl-3,6,15-tris(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-25-dodecyl-5,8,11,14,17,20,23-heptahydroxy-12,18-diisopropyl-3,6,15-tris(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[(9s,12s,18s,21r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-25-(8-methylnonyl)-3,6,12,15,18-pentakis(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[(9s,12s,18s,21r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-25-(8-methylnonyl)-3,6,12,15,18-pentakis(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[(3s,6r,9s,12s,15r,18s,21s,25r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-isopropyl-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-25-undecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[(3s,6r,9s,12s,15r,18s,21s,25r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-isopropyl-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-25-undecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[(3r,6s,9r,12s,15s,18r,21s,25r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-18-isopropyl-12-methyl-3,6,15-tris(2-methylpropyl)-25-(11-methyltridecyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[(3r,6s,9r,12s,15s,18r,21s,25r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-18-isopropyl-12-methyl-3,6,15-tris(2-methylpropyl)-25-(11-methyltridecyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[(3s,6r,9s,12s,18s,21r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-25-(8-methylnonyl)-6,15-bis(2-methylpropyl)-2-oxo-3,12,18-tris(sec-butyl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[(3s,6r,9s,12s,18s,21r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-25-(8-methylnonyl)-6,15-bis(2-methylpropyl)-2-oxo-3,12,18-tris(sec-butyl)-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[9-(carboxymethyl)-25-dodecyl-5,8,11,14,17,20,23-heptahydroxy-12,18-diisopropyl-3,6,15-tris(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[9-(carboxymethyl)-25-dodecyl-5,8,11,14,17,20,23-heptahydroxy-12,18-diisopropyl-3,6,15-tris(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-methyl-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-methyl-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[(3s,6r,9s,12s,15r,18s,21s,25r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-isopropyl-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[(3s,6r,9s,12s,15r,18s,21s,25r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-isopropyl-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[(3s,6r,9s,12s,15r,18s,21s)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-isopropyl-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-25-undecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[(3s,6r,9s,12s,15r,18s,21s)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-isopropyl-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-25-undecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-methyl-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-methyl-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-25-tridecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)


   

3-[9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-isopropyl-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

3-[9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12-isopropyl-25-(9-methyldecyl)-3,6,15,18-tetrakis(2-methylpropyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C52H91N7O13 (1021.6674516)