input word = C00050160

Metabolite InformationStructural formula
Name Massetolide F
Formula C54H95N9O16
Mw 1125.68967805
CAS RN 186409-64-3
C_ID C00050160 ,
InChIKey DSYOCLWRCTWQOY-PAHSNPQGNA-N
InChICode InChI=1S/C54H95N9O16/c1-13-14-15-16-17-18-34(66)25-42(67)55-36(21-28(2)3)47(71)56-35(19-20-43(68)69)46(70)63-45-33(12)79-54(78)39(24-31(8)9)59-51(75)41(27-65)61-48(72)37(22-29(4)5)57-50(74)40(26-64)60-49(73)38(23-30(6)7)58-52(76)44(32(10)11)62-53(45)77/h28-41,44-45,64-66H,13-27H2,1-12H3,(H,55,67)(H,56,71)(H,57,74)(H,58,76)(H,59,75)(H,60,73)(H,61,72)(H,62,77)(H,63,70)(H,68,69)/t33-,34-,35-,36+,37+,38+,39+,40-,41-,44-,45-/m1/s1
SMILES C1(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]([C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](N1)CO)CC(C)C)CO)CC(C)C)C)NC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](CCCCCCC)O)CCC(=O)O)C(C)C)CC(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas sp. Ref.
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