input word = C00037696

Metabolite InformationStructural formula
Name Pseudophomin A
(-)-Pseudophomin A
Formula C55H97N9O16
Mw 1139.70532812
CAS RN 575489-03-1
C_ID C00037696 ,
InChIKey BEWAEHJXZQNGSZ-GZGMYWSSNA-N
InChICode InChI=1S/C55H97N9O16/c1-13-19-20-21-22-23-35(67)26-39(68)59-41(29(7)14-2)50(74)56-36(24-25-40(69)70)47(71)64-46-34(12)80-55(79)45(33(11)18-6)63-49(73)38(28-66)58-51(75)42(30(8)15-3)60-48(72)37(27-65)57-52(76)43(31(9)16-4)61-53(77)44(32(10)17-5)62-54(46)78/h29-38,41-46,65-67H,13-28H2,1-12H3,(H,56,74)(H,57,76)(H,58,75)(H,59,68)(H,60,72)(H,61,77)(H,62,78)(H,63,73)(H,64,71)(H,69,70)/t29-,30+,31-,32-,33-,34+,35+,36+,37-,38+,41-,42-,43+,44-,45+,46+/m0/s1
SMILES CCCCCCC[C@@H](O)CC(=O)N[C@H](C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H]1C(=O)NC([C@@H](C)CC)C(=O)N[C@H](C(C)CC)C(=O)NC(CO)C(=O)N[C@@H](C(C)CC)C(=O)N[C@H](CO)C(=O)NC([C@@H](C)CC)C(=O)O[C@@H]1C)C(C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas fluorescens strain BRG100 Ref.
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