input word = C00018593

Metabolite InformationStructural formula
Name SQ 28517
Formula C36H56N12O14S
Mw 912.37596532
CAS RN 92131-67-4
C_ID C00018593 ,
InChIKey QXDDYNBONUQPTL-UHFFFAOYNA-N
InChICode InChI=1S/C36H56N12O14S/c1-16(42-19(4)50)29(56)43-17(2)30(57)44-18(3)31(58)46-22(9-7-11-40-35(38)39)24(52)12-26(54)62-13-21-14-63-34-36(41-15-49,33(61)48(34)27(21)32(59)60)47-25(53)10-6-8-23(28(37)55)45-20(5)51/h15-18,22-24,34,52H,6-14H2,1-5H3,(H2,37,55)(H,41,49)(H,42,50)(H,43,56)(H,44,57)(H,45,51)(H,46,58)(H,47,53)(H,59,60)(H4,38,39,40)/t16-,17+,18-,22+,23-,24+,34+,36+/m1/s1
SMILES [C@H]12N(C(=C(CS1)COC(=O)C[C@@H]([C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C)O)C(=O)O)C(=O)[C@]2(NC=O)NC(=O)CCC[C@H](C(=O)N)NC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg
Organism
Kingdom Family Species Reference
BacteriaFlavobacteriaceaeFlavobacterium sp. SC 12154 Ref.
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