input word = C00047934

Metabolite InformationStructural formula
Name Itralamide B
Formula C38H58Cl2N6O8
Mw 796.36931829
CAS RN 1187486-25-4
C_ID C00047934 ,
InChIKey SZZBMDKRUBNFQR-VUJTVSEYNA-N
InChICode InChI=1S/C38H58Cl2N6O8/c1-20(2)29-36(51)44(10)24(7)35(50)45(11)27(19-26-16-14-13-15-17-26)34(49)42-30(21(3)4)38(53)54-25(8)31(37(52)43(9)23(6)33(48)41-29)46(12)28(47)18-22(5)32(39)40/h13-17,20-25,27,29-32H,18-19H2,1-12H3,(H,41,48)(H,42,49)/t22-,23-,24-,25+,27-,29+,30-,31-/m0/s1
SMILES CC(CC(=O)N(C)[C@@H]1C(=O)N(C)[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]1C)C(Cl)Cl
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