Chemical Formula: C53H93N7O13

Chemical Formula C53H93N7O13

Found 22 metabolite its formula value is C53H93N7O13

Surfactin

cyclo[DL-Asp-DL-Leu-DL-Leu-ObAla(3-isododecyl)-DL-Glu-DL-Leu-DL-Leu-DL-Val]

C53H93N7O13 (1035.6831008)


A cyclodepsipeptide that is N-[(3R)-3-hydroxy-13-methyltetradecanoyl]-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. D000890 - Anti-Infective Agents > D000998 - Antiviral Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors CONFIDENCE isolated standard

   

Surfactin

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

C53H93N7O13 (1035.6831008)


   

(Ile7)surfactin|surfactin

(Ile7)surfactin|surfactin

C53H93N7O13 (1035.6831008)


   
   

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)-25-[(9s)-9-methylundecyl]-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-3,6,15,18-tetrakis(2-methylpropyl)-25-[(9s)-9-methylundecyl]-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C53H93N7O13 (1035.6831008)


   

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

C53H93N7O13 (1035.6831008)


   

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

C53H93N7O13 (1035.6831008)


   

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

C53H93N7O13 (1035.6831008)


   

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

C53H93N7O13 (1035.6831008)


   

3-[(3s,6s,9s,12s,15s,18s,21s,25r)-9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12,18-diisopropyl-3,6,15-tris(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-12,18-diisopropyl-3,6,15-tris(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

C53H93N7O13 (1035.6831008)


   

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

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

C53H93N7O13 (1035.6831008)


   

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-tetradecyl-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-tetradecyl-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C53H93N7O13 (1035.6831008)


   

3-[(3r,6s,9r,12s,15s,18r,21s,25r)-9-(carboxymethyl)-25-(9,11-dimethyltridecyl)-5,8,11,14,17,20,23-heptahydroxy-18-isopropyl-12-methyl-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-[(3r,6s,9r,12s,15s,18r,21s,25r)-9-(carboxymethyl)-25-(9,11-dimethyltridecyl)-5,8,11,14,17,20,23-heptahydroxy-18-isopropyl-12-methyl-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

C53H93N7O13 (1035.6831008)


   

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

C53H93N7O13 (1035.6831008)


   

3-[9-(carboxymethyl)-25-(9,11-dimethyltridecyl)-5,8,11,14,17,20,23-heptahydroxy-18-isopropyl-12-methyl-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-(9,11-dimethyltridecyl)-5,8,11,14,17,20,23-heptahydroxy-18-isopropyl-12-methyl-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

C53H93N7O13 (1035.6831008)


   

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

C53H93N7O13 (1035.6831008)


   

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

C53H93N7O13 (1035.6831008)


   

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)-25-(10-methylundecyl)-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-3,6,15,18-tetrakis(2-methylpropyl)-25-(10-methylundecyl)-2-oxo-1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosa-4,7,10,13,16,19,22-heptaen-21-yl]propanoic acid

C53H93N7O13 (1035.6831008)


   

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

C53H93N7O13 (1035.6831008)


   

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

C53H93N7O13 (1035.6831008)


   

3-[9-(carboxymethyl)-5,8,11,14,17,20,23-heptahydroxy-12,18-diisopropyl-3,6,15-tris(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-12,18-diisopropyl-3,6,15-tris(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

C53H93N7O13 (1035.6831008)