input word = C00017579

Metabolite InformationStructural formula
Name Pumilacidin E
Formula C55H97N7O13
Mw 1063.71443624
CAS RN 128422-73-1
C_ID C00017579 ,
InChIKey HNBSHUIEQOIPFQ-UHFFFAOYNA-N
InChICode InChI=1S/C55H97N7O13/c1-13-37(12)48-55(74)75-38(23-21-19-17-15-14-16-18-20-22-32(2)3)30-45(63)56-39(24-25-46(64)65)49(68)57-40(26-33(4)5)50(69)58-41(27-34(6)7)51(70)59-42(28-35(8)9)52(71)61-44(31-47(66)67)53(72)60-43(29-36(10)11)54(73)62-48/h32-44,48H,13-31H2,1-12H3,(H,56,63)(H,57,68)(H,58,69)(H,59,70)(H,60,72)(H,61,71)(H,62,73)(H,64,65)(H,66,67)/t37-,38-,39-,40-,41-,42+,43-,44+,48+/m0/s1
SMILES N1[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)O[C@H](CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C1=O)CC(C)C)CC(C)C)CC(C)C)CCC(=O)O)CCCCCCCCCCC(C)C)[C@H](CC)C)CC(C)C)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus pumilus M937-B1 Ref.
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