input word = C00028850

Metabolite InformationStructural formula
Name Polaramycin B
Formula C56H101N3O18
Mw 1103.70801345
CAS RN 198769-78-7
C_ID C00028850 ,
InChIKey QSNSHXCNOZBDFE-UGDPUMEHNA-N
InChICode InChI=1S/C56H101N3O18/c1-32-17-15-18-36(5)54(73)76-52(34(3)16-13-11-9-10-12-14-23-59-55(57)58-8)35(4)20-22-44(63)37(6)46(65)26-40(61)24-39(60)25-41(75-51(71)30-50(69)70)27-42-28-48(67)53(72)56(74,77-42)31-49(68)33(2)19-21-43(62)38(7)47(66)29-45(32)64/h18,20,22,32-35,37-49,52-53,60-68,72,74H,9-17,19,21,23-31H2,1-8H3,(H,69,70)(H3,57,58,59)/b22-20+,36-18+/t32-,33-,34-,35-,37?,38-,39-,40+,41-,42+,43-,44+,45-,46-,47-,48+,49-,52-,53-,56-/m1/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)NC)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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