input word = C00016451

Metabolite InformationStructural formula
Name Aurantimycin B
Formula C38H62N8O14
Mw 854.43854875
CAS RN 162478-62-8
C_ID C00016451 ,
InChIKey HLRDKYXEOKTOGL-UHFFFAOYNA-N
InChICode InChI=1S/C38H62N8O14/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/h15,20-27,29-30,41,54-57H,9-14,16-19H2,1-8H3,(H,39,48)(H,42,53)/t22-,23+,24+,25-,26-,27-,29+,30-,37-,38+/m0/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)CCCN1)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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