input word = C00047933

Metabolite InformationStructural formula
Name Itralamide A
Formula C36H54Cl2N6O8
Mw 768.33801817
CAS RN 1187486-24-3
C_ID C00047933 ,
InChIKey KCTXBLDAYCJREC-UHFFFAOYNA-N
InChICode InChI=1S/C36H54Cl2N6O8/c1-19(2)28-32(47)39-21(4)33(48)41(8)23(6)34(49)42(9)26(18-25-15-13-12-14-16-25)31(46)40-22(5)36(51)52-24(7)29(35(50)44(28)11)43(10)27(45)17-20(3)30(37)38/h12-16,19-24,26,28-30H,17-18H2,1-11H3,(H,39,47)(H,40,46)/t20-,21+,22+,23+,24+,26+,28-,29-/m0/s1
SMILES [C@@H]1(NC(=O)[C@H](N(C(=O)[C@H](N(C(=O)[C@H](NC(=O)[C@@H](N(C(=O)[C@H]([C@H](OC1=O)C)N(C)C(=O)C[C@H](C)C(Cl)Cl)C)C(C)C)C)C)C)C)Cc1ccccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
--Lyngbya majuscula Ref.
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OrganismLyngbya majuscula
ReferenceJimenez,J.Nat.Prod.,72,(2009),1573