input word = C00016585

Metabolite InformationStructural formula
Name Rotihibin B
Formula C35H62N10O14
Mw 846.44469676
CAS RN 143552-99-2
C_ID C00016585 ,
InChIKey UKZCPYJTHXIGBQ-UHFFFAOYNA-N
InChICode InChI=1S/C35H62N10O14/c1-3-4-5-6-7-8-9-12-25(50)42-21(11-10-14-40-35(38)59)29(52)44-23(18-47)31(54)43-22(13-15-39-32(55)26(37)19(2)48)30(53)45-27(28(51)34(57)58)33(56)41-20(17-46)16-24(36)49/h9,12,19-23,26-28,46-48,51H,3-8,10-11,13-18,37H2,1-2H3,(H2,36,49)(H,39,55)(H,41,56)(H,42,50)(H,43,54)(H,44,52)(H,45,53)(H,57,58)(H3,38,40,59)/b12-9+/t19-,20+,21+,22+,23+,26+,27+,28-/m0/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)O)[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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