input word = C00017728

Metabolite InformationStructural formula
Name Liposidomycin B
Formula C42H67N5O21S
Mw 1009.40492497
CAS RN 99751-53-8
C_ID C00017728 ,
InChIKey LGBOBVYRTQDYBA-UHFFFAOYNA-N
InChICode InChI=1S/C42H67N5O21S/c1-21(2)12-10-8-6-7-9-11-13-23(63-28(51)17-22(3)16-27(49)50)18-29(52)64-25-20-45(4)31(38(56)46(5)30(25)40(57)58)35(67-41-37(68-69(60,61)62)32(53)24(19-43)65-41)36-33(54)34(55)39(66-36)47-15-14-26(48)44-42(47)59/h14-15,21-25,30-37,39,41,53-55H,6-13,16-20,43H2,1-5H3,(H,49,50)(H,57,58)(H,44,48,59)(H,60,61,62)/t22-,23+,24-,25-,30+,31+,32+,33+,34+,35+,36+,37+,39+,41-/m1/s1
SMILES C([C@H](CCCCCCCCC(C)C)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-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces griseosporeus Ref.
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