input word = C00015226

Metabolite InformationStructural formula
Name NK 30424BS1
Formula C30H46N2O11S
Mw 642.28223106
CAS RN 330982-49-5
C_ID C00015226 ,
InChIKey CSOPDKSWJZUOGH-GFTUYLATNA-N
InChICode InChI=1S/C30H46N2O11S/c1-16(23(34)13-20(33)10-19-11-25(35)32-26(36)12-19)9-17(2)29-18(3)28(38)24(42-4)8-6-5-7-21(14-27(37)43-29)44(41)15-22(31)30(39)40/h6,8-9,16,18-22,24,28-29,33,38H,5,7,10-15,31H2,1-4H3,(H,39,40)(H,32,35,36)/b8-6+,17-9-/t16-,18-,20-,21+,22-,24+,28-,29-,44+/m1/s1
SMILES [C@@H]1(CC/C=C/[C@@H]([C@@H]([C@H]([C@H](OC(=O)C1)/C(=C\[C@H](C(=O)C[C@@H](CC1CC(=O)NC(=O)C1)O)C)/C)C)O)OC)[S@@](=O)C[C@H](C(=O)O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. NA30424 Ref.
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