input word = C00042871

Metabolite InformationStructural formula
Name Ptilomycalin A
(-)-Ptilomycalin A
Formula C45H80N6O5
Mw 784.61901971
CAS RN 124512-47-6
C_ID C00042871 ,
InChIKey VTJKGZFFFMXPGP-NKRWMSOWNA-N
InChICode InChI=1S/C45H80N6O5/c1-3-38-24-16-17-28-44(56-38)35-37-26-27-39-41(45(29-21-23-36(2)55-45)49-43(48-44)51(37)39)42(53)54-34-20-14-12-10-8-6-4-5-7-9-11-13-15-25-40(52)50(33-22-31-47)32-19-18-30-46/h16,24,36-39,41H,3-15,17-23,25-35,46-47H2,1-2H3,(H,48,49)/t36-,37+,38+,39-,41-,44+,45-/m1/s1
SMILES C1[C@H]2N3C(=N[C@]4([C@H]([C@H]3CC2)C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCCN)CCCN)CCC[C@H](O4)C)N[C@]21O[C@H](C=CCC2)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Monanchora unguifera Ref.
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OrganismMonanchora unguifera
ReferenceGallimore,J.Nat.Prod.,68,(2005),1420