input word = C00016593

Metabolite InformationStructural formula
Name Bacillopeptin C
Formula C48H76N10O16
Mw 1048.54407646
CAS RN 170663-61-3
C_ID C00016593 ,
InChIKey DURIFQIRQRYIFB-UHFFFAOYNA-N
InChICode InChI=1S/C48H76N10O16/c1-26(2)12-10-8-6-4-5-7-9-11-13-29-21-39(65)52-33(22-37(49)63)44(70)54-32(20-28-14-16-30(62)17-15-28)43(69)55-34(23-38(50)64)45(71)57-35(24-59)46(72)53-31(18-19-40(66)67)42(68)56-36(25-60)47(73)58-41(27(3)61)48(74)51-29/h14-17,26-27,29,31-36,41,59-62H,4-13,18-25H2,1-3H3,(H2,49,63)(H2,50,64)(H,51,74)(H,52,65)(H,53,72)(H,54,70)(H,55,69)(H,56,68)(H,57,71)(H,58,73)(H,66,67)/t27-,29-,31-,32-,33+,34+,35+,36-,41+/m1/s1
SMILES [C@H]1(NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H](NC(=O)C[C@H](NC1=O)CCCCCCCCCCC(C)C)CC(=O)N)CC(=O)N)CO)CCC(=O)O)CO)[C@@H](C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus subtilis FR-2 Ref.
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