input word = C00048827

Metabolite InformationStructural formula
Name Pompanopeptin A
Formula C46H73BrN10O12S
Mw 1068.4313515
CAS RN 1029262-70-1
C_ID C00048827 ,
InChIKey KHHPHRPDQUMGBB-PWUJQOHMNA-N
InChICode InChI=1S/C46H73BrN10O12S/c1-10-13-34(58)51-30(19-21-70(9)67)40(61)55-37-26(6)69-45(66)36(24(3)4)54-41(62)32(23-27-15-17-33(68-8)28(47)22-27)56(7)44(65)38(25(5)11-2)57-35(59)18-16-31(43(57)64)53-39(60)29(52-42(37)63)14-12-20-50-46(48)49/h15,17,22,24-26,29-32,35-38,59H,10-14,16,18-21,23H2,1-9H3,(H,51,58)(H,52,63)(H,53,60)(H,54,62)(H,55,61)(H4,48,49,50)/t25-,26+,29-,30-,31-,32-,35+,36-,37+,38+,70+/m0/s1
SMILES [C@H]1(CC[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]([C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@H](N1C2=O)[C@H](CC)C)C)Cc1ccc(c(c1)Br)OC)C(C)C)C)NC(=O)[C@H](CC[S@](=O)C)NC(=O)CCC)CCCNC(=N)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
--Lyngbya confervoides Ref.
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OrganismLyngbya confervoides
ReferenceBlunt,Nat.Prod.Rep.,27,(2010),165