input word = C00016584

Metabolite InformationStructural formula
Name AJI 302
Rotihibin A
Formula C35H63N11O13
Mw 845.46068118
CAS RN 142689-34-7
C_ID C00016584 ,
InChIKey ZLBAXRLUOZVNFP-FMIVXFBMNA-N
InChICode InChI=1S/C35H63N11O13/c1-3-4-5-6-7-8-9-12-25(51)43-21(11-10-14-41-35(39)59)30(54)45-23(18-48)32(56)44-22(13-15-40-33(57)26(37)19(2)49)31(55)46-27(28(52)29(38)53)34(58)42-20(17-47)16-24(36)50/h9,12,19-23,26-28,47-49,52H,3-8,10-11,13-18,37H2,1-2H3,(H2,36,50)(H2,38,53)(H,40,57)(H,42,58)(H,43,51)(H,44,56)(H,45,54)(H,46,55)(H3,39,41,59)/b12-9+/t19-,20+,21+,22-,23+,26-,27+,28-/m1/s1
SMILES N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C=C/CCCCCCC)CCCNC(=O)N)CO)CCNC(=O)[C@H](N)[C@H](O)C)[C@@H](O)C(=O)N)[C@H](CO)CC(=O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces graminofaciens 3C02 Ref.
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