input word = C00041792

Metabolite InformationStructural formula
Name Pterulamide I
Formula C34H62N6O7S
Mw 698.44006911
CAS RN 915145-46-9
C_ID C00041792 ,
InChIKey VJHQQCCKXFLKLU-UQOWOMDANA-N
InChICode InChI=1S/C34H62N6O7S/c1-16-22(7)28(30(42)35-10)39(13)33(45)26(20(3)4)36-31(43)27(21(5)6)38(12)34(46)29(23(8)17-2)40(14)32(44)24(9)37(11)25(41)18-19-48(15)47/h18-24,26-29H,16-17H2,1-15H3,(H,35,42)(H,36,43)/b19-18+/t22-,23-,24-,26-,27-,28-,29-,48-/m0/s1
SMILES C([C@@H]([C@H](N(C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H]([C@@H](C)CC)N(C(=O)[C@@H](N(C)C(=O)/C=C/[S@@](=O)C)C)C)C(C)C)C)C(=O)NC)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg
Organism
Kingdom Family Species Reference
--Plerula sp. Ref.
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OrganismPlerula sp.
ReferenceLang,J.Nat.Prod.,69,(2006),1389