input word = C00028534

Metabolite InformationStructural formula
Name Lyngbyastatin 2
Formula C56H94N6O13
Mw 1058.68788713
CAS RN 252000-07-0
C_ID C00028534 ,
InChIKey VXNKUFHPWIHJDR-ACBUSSBVNA-N
InChICode InChI=1S/C56H94N6O13/c1-18-35(7)49-53(68)60(15)47(33(3)4)52(67)57(12)43(32-72-16)51(66)61-29-21-24-41(61)50(65)59(14)48(34(5)6)54(69)62-30-22-25-42(62)56(71)75-40(19-2)23-20-26-44(63)38(10)55(70)74-39(11)36(8)27-28-37(9)45(73-17)31-46(64)58(49)13/h28,31,33-36,38-44,47-49,63H,18-27,29-30,32H2,1-17H3/b37-28+,45-31+/t35-,36-,38+,39+,40+,41-,42-,43-,44+,47-,48+,49-/m0/s1
SMILES N12[C@H](C(=O)O[C@@H](CCC[C@H]([C@H](C(=O)O[C@@H]([C@H](C/C=C(/C(=C\C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N3[C@H](C(=O)N([C@@H](C1=O)C(C)C)C)CCC3)COC)C)C(C)C)C)[C@@H](C)CC)C)/OC)\C)C)C)C)O)CC)CCC2
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Lyngbya majuscula Ref.
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