input word = C00018443

Metabolite InformationStructural formula
Name Partricin A
Formula C59H86N2O19
Mw 1126.58247858
CAS RN 76551-64-9
C_ID C00018443 ,
InChIKey PILBMRSRDPAALN-AWJKCDPHNA-N
InChICode InChI=1S/C59H86N2O19/c1-35-17-15-13-11-9-7-5-6-8-10-12-14-16-18-47(78-58-55(73)53(60)54(72)37(3)77-58)32-50-52(57(74)75)49(70)34-59(76,80-50)33-46(68)29-44(66)27-42(64)25-41(63)26-43(65)28-45(67)31-51(71)79-56(35)36(2)19-24-40(62)30-48(69)38-20-22-39(61-4)23-21-38/h5-18,20-23,35-37,40-42,44-47,49-50,52-56,58,61-64,66-68,70,72-73,76H,19,24-34,60H2,1-4H3,(H,74,75)/b6-5+,9-7+,10-8+,13-11-,14-12+,17-15-,18-16+/t35-,36+,37+,40+,41-,42-,44+,45+,46+,47+,49+,50+,52+,53-,54+,55+,56-,58-,59-/m0/s1
SMILES C\1=C\C=C\C=C\C=C\C=C\C=C\[C@H](C[C@H]2O[C@@](C[C@@H](C[C@@H](C[C@H](C[C@@H](CC(=O)C[C@H](CC(=O)O[C@@H]([C@H](\C=C1)C)[C@@H](CC[C@@H](O)CC(=O)c1ccc(cc1)NC)C)O)O)O)O)O)(C[C@H]([C@H]2C(=O)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)N)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces aureofaciens NRRL 3878 Ref.
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