input word = C00034588

Metabolite InformationStructural formula
Name Lyngbyastatin 3
Formula C52H84N8O12
Mw 1012.62087021
CAS RN 639086-56-9
C_ID C00034588 ,
InChIKey YTUBTPPQEUMFAJ-UHFFFAOYNA-N
InChICode InChI=1S/C52H84N8O12/c1-19-30(7)42-47(66)53-26-38(61)59(16)41(29(5)6)49(68)58(15)37(25-35-21-23-36(71-18)24-22-35)46(65)55-33(10)44(63)52(12,13)51(70)57(14)34(11)45(64)56-40(28(3)4)32(9)50(69)72-43(31(8)20-2)48(67)54-27-39(62)60(42)17/h21-24,28-34,37,40-43H,19-20,25-27H2,1-18H3,(H,53,66)(H,54,67)(H,55,65)(H,56,64)/t30-,31+,32+,33-,34-,37-,40-,41+,42-,43+/m1/s1
SMILES C1(=O)C(C(=O)N([C@@H](C(=O)N[C@@H]([C@@H](C(=O)O[C@H](C(=O)NCC(=O)N([C@@H](C(=O)NCC(=O)N([C@H](C(=O)N([C@@H](C(=O)N[C@@H]1C)Cc1ccc(cc1)OC)C)C(C)C)C)[C@H](C)CC)C)[C@H](CC)C)C)C(C)C)C)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Blennothrix cantharidosmum Ref.
--Lyngbya majuscula Ref.
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OrganismLyngbya majuscula
ReferenceTan,Phytochem.,68,(2007),954