input word = C00034639

Metabolite InformationStructural formula
Name Pitipeptolide B
Formula C44H67N5O9
Mw 809.49387877
CAS RN 334706-27-3
C_ID C00034639 ,
InChIKey WXTNWSNJAHRKRT-PJFWHYPANA-N
InChICode InChI=1S/C44H67N5O9/c1-11-14-16-23-33-44(8,9)43(56)47-35(27(4)5)40(53)48(10)32(25-30-20-17-15-18-21-30)42(55)58-37(29(7)13-3)41(54)49-24-19-22-31(49)38(51)46-36(28(6)12-2)39(52)45-26-34(50)57-33/h11,15,17-18,20-21,27-29,31-33,35-37H,1,12-14,16,19,22-26H2,2-10H3,(H,45,52)(H,46,51)(H,47,56)/t28-,29-,31-,32-,33+,35-,36-,37-/m0/s1
SMILES C1(C(=O)N[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)NCC(=O)O[C@@H]1CCCC=C)[C@H](CC)C)CCC2)[C@H](CC)C)Cc1ccccc1)C)C(C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro L-Asp
Organism
Kingdom Family Species Reference
--Lyngbya majuscula Ref.
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OrganismLyngbya majuscula
ReferenceTan,Phytochem.,68,(2007),954