input word = C00016452

Metabolite InformationStructural formula
Name Aurantimycin C
Formula C38H60N8O14
Mw 852.42289869
CAS RN 162478-63-9
C_ID C00016452 ,
InChIKey BGCZAXFJHFGKJR-UHFFFAOYNA-N
InChICode InChI=1S/C38H60N8O14/c1-20(2)17-24-13-14-38(55,60-23(24)6)37(7,54)36(53)42-29-30(21(3)4)59-35(52)22(5)45(56)32(49)25-11-9-15-40-43(25)28(47)18-39-31(48)27(19-58-8)46(57)33(50)26-12-10-16-41-44(26)34(29)51/h15-16,20-27,29-30,54-57H,9-14,17-19H2,1-8H3,(H,39,48)(H,42,53)/t22-,23+,24+,25-,26+,27+,29-,30+,37-,38-/m1/s1
SMILES C1C=NN2[C@H](C1)C(=O)N([C@@H](C(=O)O[C@H]([C@H](C(=O)N1[C@H](C(=O)N([C@H](C(=O)NCC2=O)COC)O)CCC=N1)NC(=O)[C@](O)(C)[C@]1(CC[C@H]([C@@H](O1)C)CC(C)C)O)C(C)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces aurantiacus IMET 43917 Ref.
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