input word = C00028858

Metabolite InformationStructural formula
Name Prenylagaramide A
Formula C54H68N10O14
Mw 1080.49164696
CAS RN 226894-87-7
C_ID C00028858 ,
InChIKey LXDPLRBOMKUKGF-MIHFKARGNA-N
InChICode InChI=1S/C54H68N10O14/c1-31(2)22-24-78-36-18-16-35(17-19-36)27-38-48(71)56-30-45(68)63-47(32(3)65)53(76)57-29-44(67)58-37(20-21-46(69)70)49(72)59-39(25-33-11-6-4-7-12-33)50(73)60-40(26-34-13-8-5-9-14-34)51(74)62-41(28-43(55)66)54(77)64-23-10-15-42(64)52(75)61-38/h4-9,11-14,16-19,22,32,37-42,47,65H,10,15,20-21,23-30H2,1-3H3,(H2,55,66)(H,56,71)(H,57,76)(H,58,67)(H,59,72)(H,60,73)(H,61,75)(H,62,74)(H,63,68)(H,69,70)/t32-,37+,38+,39+,40+,41+,42+,47+/m1/s1
SMILES C1(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H]1[C@@H](C)O)Cc1ccc(cc1)OCC=C(C)C)CCC2)CC(=O)N)Cc1ccccc1)Cc1ccccc1)CCC(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
--Oscillatoria agardhii Ref.
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OrganismOscillatoria agardhii
ReferenceMurakami,J.Nat.Prod.,62,(1999),752