input word = C00018275

Metabolite InformationStructural formula
Name Lipopeptin A
Formula C54H84N10O19
Mw 1176.59142058
CAS RN 73666-47-4
C_ID C00018275 ,
InChIKey AXMACOGXBDPVJT-UHFFFAOYNA-N
InChICode InChI=1S/C54H84N10O19/c1-6-30(2)18-14-11-9-7-8-10-12-17-21-42(70)61-45-31(3)83-54(82)33(22-23-43(71)72)57-51(79)46(39(67)27-41(56)69)62-49(77)37(24-32-19-15-13-16-20-32)63(4)53(81)38(26-40(55)68)64(5)52(80)36(29-66)60-48(76)35(28-65)59-47(75)34(25-44(73)74)58-50(45)78/h13,15-16,19-20,30-31,33-39,45-46,65-67H,6-12,14,17-18,21-29H2,1-5H3,(H2,55,68)(H2,56,69)(H,57,79)(H,58,78)(H,59,75)(H,60,76)(H,61,70)(H,62,77)(H,71,72)(H,73,74)/t30-,31-,33-,34+,35-,36+,37+,38-,39-,45-,46-/m1/s1
SMILES C1(=O)N[C@@H](C(=O)N[C@H](C(=O)N([C@@H](C(=O)N([C@@H](Cc2ccccc2)C(=O)N[C@@H](C(=O)N[C@@H](C(=O)O[C@@H]([C@H](C(=O)N[C@H]1CC(=O)O)NC(=O)CCCCCCCCCC[C@@H](CC)C)C)CCC(=O)O)[C@@H](CC(=O)N)O)C)CC(=O)N)C)CO)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. No.AC-69 Ref.
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