input word = C00047180

Metabolite InformationStructural formula
Name Anabaenopeptin 915
Formula C48H65N7O11
Mw 915.47420597
CAS RN 1110667-89-4
C_ID C00047180 ,
InChIKey FNRHVVOLOKEPPV-QAPORIFINA-N
InChICode InChI=1S/C48H65N7O11/c1-6-29(4)41-45(62)49-26-8-7-9-36(51-48(66)52-38(47(64)65)27-32-14-22-35(58)23-15-32)42(59)53-40(28(2)3)46(63)55(5)39(25-17-31-12-20-34(57)21-13-31)44(61)50-37(43(60)54-41)24-16-30-10-18-33(56)19-11-30/h10-15,18-23,28-29,36-41,56-58H,6-9,16-17,24-27H2,1-5H3,(H,49,62)(H,50,61)(H,53,59)(H,54,60)(H,64,65)(H2,51,52,66)/t29-,36+,37-,38-,39-,40-,41-/m0/s1
SMILES N1[C@H](C(=O)N[C@H](C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N([C@H](C1=O)CCc1ccc(cc1)O)C)C(C)C)NC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)[C@H](CC)C)CCc1ccc(cc1)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaPhormidiaceaePlanktothrix agardhii CYA126/8 Ref.
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OrganismPlanktothrix agardhii CYA126/8
ReferenceOkumura,J.Nat.Prod.,72,(2009),172