input word = C00028849

Metabolite InformationStructural formula
Name Polaramycin A
Formula C55H99N3O18
Mw 1089.69236338
CAS RN 198769-76-5
C_ID C00028849 ,
InChIKey XIMUGTXGMOOAJL-KJXHCDAXNA-N
InChICode InChI=1S/C55H99N3O18/c1-31-16-14-17-35(5)53(72)75-51(33(3)15-12-10-8-9-11-13-22-58-54(56)57)34(4)19-21-43(62)36(6)45(64)25-39(60)23-38(59)24-40(74-50(70)29-49(68)69)26-41-27-47(66)52(71)55(73,76-41)30-48(67)32(2)18-20-42(61)37(7)46(65)28-44(31)63/h17,19,21,31-34,36-48,51-52,59-67,71,73H,8-16,18,20,22-30H2,1-7H3,(H,68,69)(H4,56,57,58)/b21-19+,35-17+/t31-,32+,33-,34-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46-,47+,48+,51+,52-,55-/m0/s1
SMILES O1[C@@H]([C@H](/C=C/[C@H]([C@@H]([C@@H](C[C@@H](C[C@@H](C[C@H](C[C@H]2O[C@]([C@H]([C@@H](C2)O)O)(C[C@H]([C@@H](CC[C@H]([C@@H]([C@H](C[C@H]([C@H](CC/C=C(/C1=O)\C)C)O)O)C)O)C)O)O)OC(=O)CC(=O)O)O)O)O)C)O)C)[C@H](CCCCCCCCNC(=N)N)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Hygroscopicus sp. LP-93 Ref.
--Steptomyces hygroscopicus Ref.
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