input word = C00017580

Metabolite InformationStructural formula
Name Pumilacidin F
Formula C54H95N7O13
Mw 1049.69878617
CAS RN 128451-35-4
C_ID C00017580 ,
InChIKey IDVOWBCDONBHKQ-UHFFFAOYNA-N
InChICode InChI=1S/C54H95N7O13/c1-31(2)21-19-17-15-13-14-16-18-20-22-37-29-44(62)55-38(23-24-45(63)64)48(67)56-39(25-32(3)4)49(68)57-40(26-33(5)6)50(69)58-41(27-34(7)8)51(70)60-43(30-46(65)66)52(71)59-42(28-35(9)10)53(72)61-47(36(11)12)54(73)74-37/h31-43,47H,13-30H2,1-12H3,(H,55,62)(H,56,67)(H,57,68)(H,58,69)(H,59,71)(H,60,70)(H,61,72)(H,63,64)(H,65,66)/t37-,38-,39-,40+,41+,42+,43+,47-/m1/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(C)C)CC(C)C)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala L-Asp
Organism
Kingdom Family Species Reference
BacteriaBacillaceaeBacillus pumilus M937-B1 Ref.
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