input word = C00016070

Metabolite InformationStructural formula
Name A 53930B
Formula C43H82N16O12
Mw 1014.6298122
CAS RN 182697-76-3
C_ID C00016070 ,
InChIKey IJDNLUQURNFBKI-UWHYTAHWNA-N
InChICode InChI=1S/C43H82N16O12/c44-11-1-6-23(45)16-30(61)51-12-2-7-24(46)17-31(62)52-13-3-8-25(47)18-32(63)53-14-4-9-26(48)19-33(64)54-15-5-10-27(49)20-34(65)56-37-39(67)38(66)29(22-70-42(50)69)71-41(37)59-43-57-35-28(60)21-55-40(68)36(35)58-43/h23-29,35-39,41,60,66-67H,1-22,44-49H2,(H2,50,69)(H,51,61)(H,52,62)(H,53,63)(H,54,64)(H,55,68)(H,56,65)(H2,57,58,59)/t23-,24-,25-,26-,27-,28+,29+,35+,36-,37+,38-,39-,41+/m0/s1
SMILES N1C[C@H]([C@@H]2[C@@H](C1=O)N=C(N2)N[C@@H]1O[C@@H]([C@@H]([C@H]([C@H]1NC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCNC(=O)C[C@H](CCCN)N)N)N)N)N)O)O)COC(=O)N)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces vinaceusdrappus SANK 62394 Ref.
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