input word = C00017729

Metabolite InformationStructural formula
Name Liposidomycin C
Formula C42H67N5O21S
Mw 1009.40492497
CAS RN 99751-54-9
C_ID C00017729 ,
InChIKey NUIXFOOZWGAKIP-UHFFFAOYNA-N
InChICode InChI=1S/C42H67N5O21S/c1-5-6-7-8-9-10-11-12-13-14-23(63-28(51)18-22(2)17-27(49)50)19-29(52)64-25-21-45(3)31(38(56)46(4)30(25)40(57)58)35(67-41-37(68-69(60,61)62)32(53)24(20-43)65-41)36-33(54)34(55)39(66-36)47-16-15-26(48)44-42(47)59/h15-16,22-25,30-37,39,41,53-55H,5-14,17-21,43H2,1-4H3,(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+/m0/s1
SMILES C([C@@H](CCCCCCCCCCC)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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