input word = C00018639

Metabolite InformationStructural formula
Name Chitinovorin D
Formula C37H62N14O14S
Mw 958.42906352
CAS RN 96684-37-6
C_ID C00018639 ,
InChIKey GCPKIYOLMMZEDT-UHFFFAOYNA-N
InChICode InChI=1S/C37H62N14O14S/c1-17(38)29(58)48-21(7-4-10-44-35(40)41)23(53)12-26(56)47-18(2)30(59)49-22(8-5-11-45-36(42)43)24(54)13-27(57)65-14-19-15-66-34-37(46-16-52,33(64)51(34)28(19)32(62)63)50-25(55)9-3-6-20(39)31(60)61/h16-18,20-24,34,53-54H,3-15,38-39H2,1-2H3,(H,46,52)(H,47,56)(H,48,58)(H,49,59)(H,50,55)(H,60,61)(H,62,63)(H4,40,41,44)(H4,42,43,45)/t17-,18-,20-,21+,22-,23-,24+,34-,37-/m0/s1
SMILES CC(N)C(=O)NC(CCCNC(=N)N)C(O)CC(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(O)CC(=O)OCC1=C(C(=O)O)N2C(=O)C(NC=O)(NC(=O)CCCC(N)C(=O)O)C2SC1
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaFlavobacteriaceaeFlavobacterium sp. PB-5246 Ref.
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