input word = C00017727

Metabolite InformationStructural formula
Name Liposidomycin A-I
Formula C44H67N5O21S
Mw 1033.40492497
CAS RN 99751-55-0
C_ID C00017727 ,
InChIKey LJAKBFLSOINZOO-QYYNVLAYNA-N
InChICode InChI=1S/C44H67N5O21S/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(65-30(53)20-24(2)19-29(51)52)21-31(54)66-27-23-47(3)33(40(58)48(4)32(27)42(59)60)37(69-43-39(70-71(62,63)64)34(55)26(22-45)67-43)38-35(56)36(57)41(68-38)49-18-17-28(50)46-44(49)61/h9-10,12-13,17-18,24-27,32-39,41,43,55-57H,5-8,11,14-16,19-23,45H2,1-4H3,(H,51,52)(H,59,60)(H,46,50,61)(H,62,63,64)/b10-9+,13-12+/t24-,25+,26+,27-,32+,33-,34-,35+,36+,37-,38-,39+,41+,43-/m0/s1
SMILES C([C@@H](CCC/C=C/C/C=C/CCCCC)OC(=O)C[C@@H](C)CC(=O)O)C(=O)O[C@@H]1[C@@H](N(C(=O)[C@@H](N(C1)C)[C@H](O[C@H]1[C@@H]([C@H]([C@H](O1)CN)O)OS(=O)(=O)O)[C@@H]1[C@@H]([C@H]([C@@H](O1)n1c(=O)[nH]c(=O)cc1)O)O)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces griseosporeus Ref.
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