input word = C00047179

Metabolite InformationStructural formula
Name Anabaenopeptin 908
Formula C45H68N10O10
Mw 908.51198847
CAS RN 1110667-88-3
C_ID C00047179 ,
InChIKey FPSCSFRHCCJLDN-XUGAHEQANA-N
InChICode InChI=1S/C45H68N10O10/c1-6-27(4)37-40(60)48-24-8-7-10-32(51-45(65)52-34(43(63)64)11-9-25-49-44(46)47)38(58)53-36(26(2)3)41(61)50-33(22-16-28-12-18-30(56)19-13-28)42(62)55(5)35(39(59)54-37)23-17-29-14-20-31(57)21-15-29/h12-15,18-21,26-27,32-37,56-57H,6-11,16-17,22-25H2,1-5H3,(H,48,60)(H,50,61)(H,53,58)(H,54,59)(H,63,64)(H4,46,47,49)(H2,51,52,65)/t27-,32+,33-,34-,35-,36-,37-/m0/s1
SMILES N1[C@H](C(=O)NCCCC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C1=O)CCc1ccc(cc1)O)C)CCc1ccc(cc1)O)C(C)C)NC(=O)N[C@@H](CCCNC(=N)N)C(=O)O)[C@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaPhormidiaceaePlanktothrix agardhii CYA126/8 Ref.
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