input word = C00018214

Metabolite InformationStructural formula
Name Permetin A
Formula C54H92N12O12
Mw 1100.69576649
CAS RN 71888-70-5
C_ID C00018214 ,
InChIKey NPQJTPHMCZYCNP-UHFFFAOYNA-N
InChICode InChI=1S/C54H92N12O12/c1-11-32(9)42-27-43(68)58-35(18-21-55)47(70)66-45(33(10)12-2)53(76)60-36(19-22-56)46(69)62-40(26-34-16-14-13-15-17-34)51(74)61-38(24-29(3)4)49(72)59-37(20-23-57)48(71)65-44(31(7)8)52(75)63-39(25-30(5)6)50(73)64-41(28-67)54(77)78-42/h13-17,29-33,35-42,44-45,67H,11-12,18-28,55-57H2,1-10H3,(H,58,68)(H,59,72)(H,60,76)(H,61,74)(H,62,69)(H,63,75)(H,64,73)(H,65,71)(H,66,70)/t32-,33+,35+,36-,37+,38+,39-,40+,41+,42+,44-,45-/m1/s1
SMILES C1(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O[C@@H](CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CCN)CC(C)C)Cc1ccccc1)CCN)[C@@H](C)CC)CCN)[C@@H](CC)C)CO)CC(C)C)C(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus circulans AJ 3902 Ref.
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