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 COCC1C(=O)NCC(=O)N2N=CCCC2C(=O)N(O)C(C)C(=O)OC(C(C)C)C(NC(=O)C(C)(O)C2(O)CCC(CC(C)C)C(C)O2)C(=O)N2N=CCCC2C(=O)N1O
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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